PubChemLite - 53759-50-5 (C18H35N5O7)

Structural Information

Molecular Formula

SMILES

CNC1C(COC(C1O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O

InChI

InChI=1S/C18H35N5O7/c1-23-12-11(24)6-27-18(13(12)25)30-16-10(22)4-9(21)15(14(16)26)29-17-8(20)3-2-7(5-19)28-17/h2,8-18,23-26H,3-6,19-22H2,1H3

InChIKey

DAKDDLIZULPEFW-UHFFFAOYSA-N

Compound name

2-[4,6-diamino-3-[[3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-4-(methylamino)oxane-3,5-diol

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]+	434.26094	205.8
[M+Na]+	456.24288	207.5
[M+NH4]+	451.28748	207.5
[M+K]+	472.21682	208.0
[M-H]-	432.24638	211.3
[M+Na-2H]-	454.22833	201.9
[M]+	433.25311	206.4
[M]-	433.25421	206.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

434.26094

205.8

[M+Na]+

456.24288

207.5

[M+NH4]+

451.28748

207.5

[M+K]+

472.21682

208.0

[M-H]-

432.24638

211.3

[M+Na-2H]-

454.22833

201.9

[M]+

433.25311

206.4

[M]-

433.25421

206.4

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

53759-50-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe