CID 5755128

(e)-n-(3-((2-methoxyethyl)amino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl)-4-methylbenzamide

Structural Information

Molecular Formula
C20H21N3O5
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC(=CC=C2)[N+](=O)[O-])/C(=O)NCCOC
InChI
InChI=1S/C20H21N3O5/c1-14-6-8-16(9-7-14)19(24)22-18(20(25)21-10-11-28-2)13-15-4-3-5-17(12-15)23(26)27/h3-9,12-13H,10-11H2,1-2H3,(H,21,25)(H,22,24)/b18-13+
InChIKey
UWJYJZLHBYGDRT-QGOAFFKASA-N
Compound name
N-[(E)-3-(2-methoxyethylamino)-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

383.14813 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.155406 190.0
[M+Na]+ 406.137348 191.8
[M-H]- 382.140854 195.7
[M+NH4]+ 401.181953 199.2
[M+K]+ 422.111288 184.8
[M+H-H2O]+ 366.145390 184.9
[M+HCOO]- 428.146331 213.3
[M+CH3COO]- 442.161981 217.3
[M+Na-2H]- 404.122796 192.3
[M]+ 383.14758142 188.9
[M]- 383.14867858 188.9
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.