CID 135429811

N-benzoyl-n'-cyanoguanidine

Structural Information

Molecular Formula
C9H8N4O
SMILES
C1=CC=C(C=C1)C(=O)NC(=NC#N)N
InChI
InChI=1S/C9H8N4O/c10-6-12-9(11)13-8(14)7-4-2-1-3-5-7/h1-5H,(H3,11,12,13,14)
InChIKey
GEPDMNXQKYQBAI-UHFFFAOYSA-N
Compound name
N-(N'-cyanocarbamimidoyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

188.06981 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07709 147.1
[M+Na]+ 211.05903 154.3
[M-H]- 187.06253 150.5
[M+NH4]+ 206.10363 163.6
[M+K]+ 227.03297 152.4
[M+H-H2O]+ 171.06707 133.2
[M+HCOO]- 233.06801 169.6
[M+CH3COO]- 247.08366 200.9
[M+Na-2H]- 209.04448 151.7
[M]+ 188.06926 138.9
[M]- 188.07036 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe