CID 5839946

4-methyl-n'-{(z)-1-[5-methyl-1-(3-nitrophenyl)-1h-1,2,3-triazol-4-yl]ethylidene}-3-nitrobenzohydrazide

Structural Information

Molecular Formula
C19H17N7O5
SMILES
CC1=C(C=C(C=C1)C(=O)N/N=C(/C)\C2=C(N(N=N2)C3=CC(=CC=C3)[N+](=O)[O-])C)[N+](=O)[O-]
InChI
InChI=1S/C19H17N7O5/c1-11-7-8-14(9-17(11)26(30)31)19(27)22-20-12(2)18-13(3)24(23-21-18)15-5-4-6-16(10-15)25(28)29/h4-10H,1-3H3,(H,22,27)/b20-12-
InChIKey
CEFUFBWILYTHQK-NDENLUEZSA-N
Compound name
4-methyl-N-[(Z)-1-[5-methyl-1-(3-nitrophenyl)triazol-4-yl]ethylideneamino]-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.12912 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.13640 195.4
[M+Na]+ 446.11834 207.3
[M+NH4]+ 441.16294 198.7
[M+K]+ 462.09228 209.8
[M-H]- 422.12184 201.3
[M+Na-2H]- 444.10379 201.5
[M]+ 423.12857 198.0
[M]- 423.12967 198.0
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.