CID 5774132

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

Structural Information

Molecular Formula
C19H18N6O5
SMILES
CC1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])/C(=N\NC(=O)C3=CC(=C(C=C3)O)OC)/C
InChI
InChI=1S/C19H18N6O5/c1-11(20-22-19(27)13-7-8-16(26)17(9-13)30-3)18-12(2)24(23-21-18)14-5-4-6-15(10-14)25(28)29/h4-10,26H,1-3H3,(H,22,27)/b20-11-
InChIKey
OAWXQSQEJVCWPA-JAIQZWGSSA-N
Compound name
4-hydroxy-3-methoxy-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

410.13388 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.14116 192.1
[M+Na]+ 433.12310 197.0
[M-H]- 409.12660 199.4
[M+NH4]+ 428.16770 198.3
[M+K]+ 449.09704 189.5
[M+H-H2O]+ 393.13114 185.2
[M+HCOO]- 455.13208 214.5
[M+CH3COO]- 469.14773 222.9
[M+Na-2H]- 431.10855 196.2
[M]+ 410.13333 192.5
[M]- 410.13443 192.5
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.