CID 5941152

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

Structural Information

Molecular Formula
C22H21N7O4
SMILES
CC1=C(N=NN1C2=CC(=CC=C2)[N+](=O)[O-])/C(=N\NC(=O)C3=CC=C(C=C3)N4CCCC4=O)/C
InChI
InChI=1S/C22H21N7O4/c1-14(21-15(2)28(26-24-21)18-5-3-6-19(13-18)29(32)33)23-25-22(31)16-8-10-17(11-9-16)27-12-4-7-20(27)30/h3,5-6,8-11,13H,4,7,12H2,1-2H3,(H,25,31)/b23-14-
InChIKey
YNGAFDCIXWCBJZ-UCQKPKSFSA-N
Compound name
N-[(Z)-1-[5-methyl-1-(3-nitrophenyl)triazol-4-yl]ethylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.1655 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.17278 201.7
[M+Na]+ 470.15472 204.8
[M-H]- 446.15822 211.9
[M+NH4]+ 465.19932 206.8
[M+K]+ 486.12866 196.4
[M+H-H2O]+ 430.16276 193.8
[M+HCOO]- 492.16370 222.4
[M+CH3COO]- 506.17935 230.5
[M+Na-2H]- 468.14017 202.8
[M]+ 447.16495 198.9
[M]- 447.16605 198.9
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.