PubChemLite - 22535-90-6 (C17H26N10O4)

Structural Information

Molecular Formula

SMILES

C1C2(COC(O1)CCC3=NC(=NC(=N3)N)N)COC(OC2)CCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C17H26N10O4/c18-13-22-9(23-14(19)26-13)1-3-11-28-5-17(6-29-11)7-30-12(31-8-17)4-2-10-24-15(20)27-16(21)25-10/h11-12H,1-8H2,(H4,18,19,22,23,26)(H4,20,21,24,25,27)

InChIKey

DUZLHGMYNVZMCO-UHFFFAOYSA-N

Compound name

6-[2-[3-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]ethyl]-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	435.22112	215.9
[M+Na]+	457.20306	221.3
[M-H]-	433.20656	220.5
[M+NH4]+	452.24766	211.7
[M+K]+	473.17700	219.1
[M+H-H2O]+	417.21110	201.2
[M+HCOO]-	479.21204	223.2
[M+CH3COO]-	493.22769	219.9
[M+Na-2H]-	455.18851	217.9
[M]+	434.21329	210.6
[M]-	434.21439	210.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

435.22112

215.9

[M+Na]+

457.20306

221.3

[M-H]-

433.20656

220.5

[M+NH4]+

452.24766

211.7

[M+K]+

473.17700

219.1

[M+H-H2O]+

417.21110

201.2

[M+HCOO]-

479.21204

223.2

[M+CH3COO]-

493.22769

219.9

[M+Na-2H]-

455.18851

217.9

[M]+

434.21329

210.6

[M]-

434.21439

210.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

22535-90-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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