CID 1107564

307953-49-7

Structural Information

Molecular Formula
C23H22N2O3
SMILES
CC1=CC=C(C=C1)/C=C(\C(=O)NCC2=CC=CO2)/NC(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C23H22N2O3/c1-16-5-9-18(10-6-16)14-21(23(27)24-15-20-4-3-13-28-20)25-22(26)19-11-7-17(2)8-12-19/h3-14H,15H2,1-2H3,(H,24,27)(H,25,26)/b21-14+
InChIKey
YPOUJWMBWQPLAD-KGENOOAVSA-N
Compound name
N-[(E)-3-(furan-2-ylmethylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.16306 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.17034 193.7
[M+Na]+ 397.15228 197.5
[M-H]- 373.15578 203.8
[M+NH4]+ 392.19688 204.7
[M+K]+ 413.12622 193.8
[M+H-H2O]+ 357.16032 184.4
[M+HCOO]- 419.16126 216.3
[M+CH3COO]- 433.17691 221.7
[M+Na-2H]- 395.13773 193.4
[M]+ 374.16251 194.1
[M]- 374.16361 194.1
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.