CID 6246250

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

Structural Information

Molecular Formula
C18H16N6O4
SMILES
CC1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])/C(=N\NC(=O)C3=CC=CC=C3O)/C
InChI
InChI=1S/C18H16N6O4/c1-11(19-21-18(26)15-8-3-4-9-16(15)25)17-12(2)23(22-20-17)13-6-5-7-14(10-13)24(27)28/h3-10,25H,1-2H3,(H,21,26)/b19-11-
InChIKey
DKSDKMWOEIGDOJ-ODLFYWEKSA-N
Compound name
2-hydroxy-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

380.1233 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.13058 184.5
[M+Na]+ 403.11252 189.4
[M-H]- 379.11602 191.6
[M+NH4]+ 398.15712 191.8
[M+K]+ 419.08646 181.3
[M+H-H2O]+ 363.12056 177.8
[M+HCOO]- 425.12150 207.3
[M+CH3COO]- 439.13715 216.5
[M+Na-2H]- 401.09797 189.5
[M]+ 380.12275 183.0
[M]- 380.12385 183.0
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.