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]+ 384.191776 194.7
[M+Na]+ 406.173718 195.3
[M-H]- 382.177224 202.8
[M+NH4]+ 401.218323 202.0
[M+K]+ 422.147658 193.9
[M+H-H2O]+ 366.181760 184.6
[M+HCOO]- 428.182701 211.7
[M+CH3COO]- 442.198351 220.9
[M+Na-2H]- 404.159166 194.1
[M]+ 383.18395142 192.3
[M]- 383.18504858 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.