CID 9574214

N-vinyl-met-guan

Structural Information

Molecular Formula
C15H15N7O2
SMILES
C=CN1C(=CN=C1/C=C/C2=CC=C(C=C2)/C=N/N=C(N)N)[N+](=O)[O-]
InChI
InChI=1S/C15H15N7O2/c1-2-21-13(18-10-14(21)22(23)24)8-7-11-3-5-12(6-4-11)9-19-20-15(16)17/h2-10H,1H2,(H4,16,17,20)/b8-7+,19-9+
InChIKey
QSOOMLJRFGUMFE-WKOGJKATSA-N
Compound name
2-[(E)-[4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]phenyl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.12872 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.135996 172.5
[M+Na]+ 348.117938 177.6
[M-H]- 324.121444 178.9
[M+NH4]+ 343.162543 184.2
[M+K]+ 364.091878 169.0
[M+H-H2O]+ 308.125980 166.4
[M+HCOO]- 370.126921 201.1
[M+CH3COO]- 384.142571 213.7
[M+Na-2H]- 346.103386 177.6
[M]+ 325.12817142 168.4
[M]- 325.12926858 168.4
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

No patent data available for this compound.