CID 5926163

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

Structural Information

Molecular Formula
C18H15BrN6O3
SMILES
CC1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])/C(=N\NC(=O)C3=CC(=CC=C3)Br)/C
InChI
InChI=1S/C18H15BrN6O3/c1-11(20-22-18(26)13-5-3-6-14(19)9-13)17-12(2)24(23-21-17)15-7-4-8-16(10-15)25(27)28/h3-10H,1-2H3,(H,22,26)/b20-11-
InChIKey
YGGDHJDUPWWZSS-JAIQZWGSSA-N
Compound name
3-bromo-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

442.0389 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.04618 190.4
[M+Na]+ 465.02812 198.3
[M-H]- 441.03162 200.6
[M+NH4]+ 460.07272 200.1
[M+K]+ 481.00206 182.5
[M+H-H2O]+ 425.03616 189.2
[M+HCOO]- 487.03710 211.8
[M+CH3COO]- 501.05275 224.1
[M+Na-2H]- 463.01357 196.2
[M]+ 442.03835 208.4
[M]- 442.03945 208.4
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.