CID 6474139

Nsc642630

Structural Information

Molecular Formula
C20H22N4O4
SMILES
CC(C)(C)NNC(=O)/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C20H22N4O4/c1-20(2,3)23-22-19(26)17(21-18(25)15-7-5-4-6-8-15)13-14-9-11-16(12-10-14)24(27)28/h4-13,23H,1-3H3,(H,21,25)(H,22,26)/b17-13-
InChIKey
NYXYILHCWMNLJS-LGMDPLHJSA-N
Compound name
N-[(Z)-3-(2-tert-butylhydrazinyl)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.1641 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17138 187.4
[M+Na]+ 405.15332 188.1
[M-H]- 381.15682 193.1
[M+NH4]+ 400.19792 196.3
[M+K]+ 421.12726 181.3
[M+H-H2O]+ 365.16136 182.8
[M+HCOO]- 427.16230 210.1
[M+CH3COO]- 441.17795 218.5
[M+Na-2H]- 403.13877 192.4
[M]+ 382.16355 183.3
[M]- 382.16465 183.4
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.