PubChemLite - Rwj-671818 (C18H23F2N7O3)

Structural Information

Molecular Formula

SMILES

CC1=CN=C(C(=O)N1CC(=O)NCCON=C(N)N)NCC(C2=CC=CC=C2)(F)F

InChI

InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26)

InChIKey

IDCKXHIGLKQWMM-UHFFFAOYSA-N

Compound name

N-[2-(diaminomethylideneamino)oxyethyl]-2-[3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1-yl]acetamide

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]+	424.19032	188.7
[M+Na]+	446.17226	193.3
[M+NH4]+	441.21686	189.6
[M+K]+	462.14620	191.1
[M-H]-	422.17576	187.9
[M+Na-2H]-	444.15771	192.2
[M]+	423.18249	188.1
[M]-	423.18359	188.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

424.19032

188.7

[M+Na]+

446.17226

193.3

[M+NH4]+

441.21686

189.6

[M+K]+

462.14620

191.1

[M-H]-

422.17576

187.9

[M+Na-2H]-

444.15771

192.2

[M]+

423.18249

188.1

[M]-

423.18359

188.1

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

Rwj-671818

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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