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]+ 368.16048 185.3
[M+Na]+ 390.14242 187.0
[M-H]- 366.14592 191.1
[M+NH4]+ 385.18702 195.3
[M+K]+ 406.11636 180.0
[M+H-H2O]+ 350.15046 181.2
[M+HCOO]- 412.15140 207.1
[M+CH3COO]- 426.16705 213.4
[M+Na-2H]- 388.12787 189.6
[M]+ 367.15265 182.1
[M]- 367.15375 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.