CID 5755138

302822-98-6

Structural Information

Molecular Formula
C21H25N3O3
SMILES
CN(C)C1=CC=C(C=C1)/C=C(\C(=O)NCCOC)/NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C21H25N3O3/c1-24(2)18-11-9-16(10-12-18)15-19(21(26)22-13-14-27-3)23-20(25)17-7-5-4-6-8-17/h4-12,15H,13-14H2,1-3H3,(H,22,26)(H,23,25)/b19-15+
InChIKey
BCRIBTAEVVMBPZ-XDJHFCHBSA-N
Compound name
N-[(E)-1-[4-(dimethylamino)phenyl]-3-(2-methoxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1896 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.196876 190.9
[M+Na]+ 390.178818 192.7
[M-H]- 366.182324 197.8
[M+NH4]+ 385.223423 202.1
[M+K]+ 406.152758 190.5
[M+H-H2O]+ 350.186860 180.9
[M+HCOO]- 412.187801 214.6
[M+CH3COO]- 426.203451 227.0
[M+Na-2H]- 388.164266 191.4
[M]+ 367.18905142 191.9
[M]- 367.19014858 191.9
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.