CID 9655892

2-methyl-3-nitro-n-{2-[((2e)-2-{1-[3-(1h-tetraazol-1-yl)phenyl]ethylidene}hydrazino)carbonyl]phenyl}benzamide

Structural Information

Molecular Formula
C24H20N8O4
SMILES
CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=CC=C2C(=O)N/N=C(\C)/C3=CC(=CC=C3)N4C=NN=N4
InChI
InChI=1S/C24H20N8O4/c1-15-19(10-6-12-22(15)32(35)36)23(33)26-21-11-4-3-9-20(21)24(34)28-27-16(2)17-7-5-8-18(13-17)31-14-25-29-30-31/h3-14H,1-2H3,(H,26,33)(H,28,34)/b27-16+
InChIKey
WYVGXKQUSWFLGA-JVWAILMASA-N
Compound name
2-methyl-3-nitro-N-[2-[[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]carbamoyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

484.16074 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.16802 207.7
[M+Na]+ 507.14996 209.8
[M-H]- 483.15346 217.5
[M+NH4]+ 502.19456 208.7
[M+K]+ 523.12390 200.9
[M+H-H2O]+ 467.15800 198.2
[M+HCOO]- 529.15894 229.5
[M+CH3COO]- 543.17459 239.7
[M+Na-2H]- 505.13541 213.4
[M]+ 484.16019 205.6
[M]- 484.16129 205.6
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.