CID 5913835

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

Structural Information

Molecular Formula
C18H15ClN6O3
SMILES
CC1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])/C(=N\NC(=O)C3=CC=C(C=C3)Cl)/C
InChI
InChI=1S/C18H15ClN6O3/c1-11(20-22-18(26)13-6-8-14(19)9-7-13)17-12(2)24(23-21-17)15-4-3-5-16(10-15)25(27)28/h3-10H,1-2H3,(H,22,26)/b20-11-
InChIKey
ZVIWFPIJRIUEAP-JAIQZWGSSA-N
Compound name
4-chloro-N-[(Z)-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

398.08942 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.09670 191.1
[M+Na]+ 421.07864 197.1
[M-H]- 397.08214 198.9
[M+NH4]+ 416.12324 199.2
[M+K]+ 437.05258 187.8
[M+H-H2O]+ 381.08668 184.5
[M+HCOO]- 443.08762 210.4
[M+CH3COO]- 457.10327 220.2
[M+Na-2H]- 419.06409 195.2
[M]+ 398.08887 192.3
[M]- 398.08997 192.3
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.