CID 5338084

300567-63-9

Structural Information

Molecular Formula
C21H23N3O4
SMILES
CCN(CC)C(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/NC(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C21H23N3O4/c1-4-23(5-2)21(26)19(14-16-7-6-8-18(13-16)24(27)28)22-20(25)17-11-9-15(3)10-12-17/h6-14H,4-5H2,1-3H3,(H,22,25)/b19-14-
InChIKey
SYIFYVBPCKMTLG-RGEXLXHISA-N
Compound name
N-[(Z)-3-(diethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.16885 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.17613 192.1
[M+Na]+ 404.15807 193.9
[M-H]- 380.16157 199.1
[M+NH4]+ 399.20267 202.1
[M+K]+ 420.13201 187.4
[M+H-H2O]+ 364.16611 187.0
[M+HCOO]- 426.16705 215.4
[M+CH3COO]- 440.18270 221.4
[M+Na-2H]- 402.14352 192.9
[M]+ 381.16830 191.3
[M]- 381.16940 191.3
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.