CID 6385792

297146-16-8

Structural Information

Molecular Formula
C20H21N3O4
SMILES
CC(C)(C)NC(=O)/C(=C\C1=CC=CC=C1)/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C20H21N3O4/c1-20(2,3)22-19(25)17(13-14-7-5-4-6-8-14)21-18(24)15-9-11-16(12-10-15)23(26)27/h4-13H,1-3H3,(H,21,24)(H,22,25)/b17-13+
InChIKey
XWOBXGQPBHJMJO-GHRIWEEISA-N
Compound name
N-[(E)-3-(tert-butylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1532 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.160476 185.3
[M+Na]+ 390.142418 187.0
[M-H]- 366.145924 191.1
[M+NH4]+ 385.187023 195.3
[M+K]+ 406.116358 180.0
[M+H-H2O]+ 350.150460 181.2
[M+HCOO]- 412.151401 207.1
[M+CH3COO]- 426.167051 213.4
[M+Na-2H]- 388.127866 189.6
[M]+ 367.15265142 182.1
[M]- 367.15374858 182.1
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.