CID 92844214

624725-37-7

Structural Information

Molecular Formula
C18H16N6O3
SMILES
CC1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])/C(=N/NC(=O)C3=CC=CC=C3)/C
InChI
InChI=1S/C18H16N6O3/c1-12(19-21-18(25)14-7-4-3-5-8-14)17-13(2)23(22-20-17)15-9-6-10-16(11-15)24(26)27/h3-11H,1-2H3,(H,21,25)/b19-12+
InChIKey
IIPNWUAPALGKKV-XDHOZWIPSA-N
Compound name
N-[(E)-1-[5-methyl-1-(3-nitrophenyl)triazol-4-yl]ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1284 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13568 180.6
[M+Na]+ 387.11762 193.1
[M+NH4]+ 382.16222 185.5
[M+K]+ 403.09156 192.2
[M-H]- 363.12112 186.1
[M+Na-2H]- 385.10307 189.1
[M]+ 364.12785 183.5
[M]- 364.12895 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.