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]+ 326.13600 172.5
[M+Na]+ 348.11794 177.6
[M-H]- 324.12144 178.9
[M+NH4]+ 343.16254 184.2
[M+K]+ 364.09188 169.0
[M+H-H2O]+ 308.12598 166.4
[M+HCOO]- 370.12692 201.1
[M+CH3COO]- 384.14257 213.7
[M+Na-2H]- 346.10339 177.6
[M]+ 325.12817 168.4
[M]- 325.12927 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.