CID 9574213

N-vinyl-met-thio

Structural Information

Molecular Formula
C15H14N6O2S
SMILES
C=CN1C(=CN=C1/C=C/C2=CC=C(C=C2)/C=N/NC(=S)N)[N+](=O)[O-]
InChI
InChI=1S/C15H14N6O2S/c1-2-20-13(17-10-14(20)21(22)23)8-7-11-3-5-12(6-4-11)9-18-19-15(16)24/h2-10H,1H2,(H3,16,19,24)/b8-7+,18-9+
InChIKey
OAJBZKVSZYCGGU-OQUKJUSVSA-N
Compound name
[(E)-[4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]phenyl]methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.0899 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09718 177.1
[M+Na]+ 365.07912 182.7
[M-H]- 341.08262 182.4
[M+NH4]+ 360.12372 188.5
[M+K]+ 381.05306 172.2
[M+H-H2O]+ 325.08716 171.9
[M+HCOO]- 387.08810 198.4
[M+CH3COO]- 401.10375 210.3
[M+Na-2H]- 363.06457 179.8
[M]+ 342.08935 174.5
[M]- 342.09045 174.5
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.