CID 1987963

324562-02-9

Structural Information

Molecular Formula
C21H25N3O4
SMILES
CC1=CC=C(C=C1)C(=O)N/C(=C/C2=CC=CO2)/C(=O)NCCN3CCOCC3
InChI
InChI=1S/C21H25N3O4/c1-16-4-6-17(7-5-16)20(25)23-19(15-18-3-2-12-28-18)21(26)22-8-9-24-10-13-27-14-11-24/h2-7,12,15H,8-11,13-14H2,1H3,(H,22,26)(H,23,25)/b19-15+
InChIKey
USBSUIGFIXPBPL-XDJHFCHBSA-N
Compound name
N-[(E)-1-(furan-2-yl)-3-(2-morpholin-4-ylethylamino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1845 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19178 194.7
[M+Na]+ 406.17372 195.3
[M-H]- 382.17722 202.8
[M+NH4]+ 401.21832 202.0
[M+K]+ 422.14766 193.9
[M+H-H2O]+ 366.18176 184.6
[M+HCOO]- 428.18270 211.7
[M+CH3COO]- 442.19835 220.9
[M+Na-2H]- 404.15917 194.1
[M]+ 383.18395 192.3
[M]- 383.18505 192.3
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.