CID 5839816

89080-20-6

Structural Information

Molecular Formula
C24H21N3O2
SMILES
CC1=CC=C(C=C1)C2=C/C(=C\C3=CC=C(C=C3)N(CCC#N)CCC#N)/C(=O)O2
InChI
InChI=1S/C24H21N3O2/c1-18-4-8-20(9-5-18)23-17-21(24(28)29-23)16-19-6-10-22(11-7-19)27(14-2-12-25)15-3-13-26/h4-11,16-17H,2-3,14-15H2,1H3/b21-16+
InChIKey
WYOFYCDFIQDSTK-LTGZKZEYSA-N
Compound name
3-[N-(2-cyanoethyl)-4-[(E)-[5-(4-methylphenyl)-2-oxofuran-3-ylidene]methyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.1634 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.17068 199.4
[M+Na]+ 406.15262 209.0
[M-H]- 382.15612 205.4
[M+NH4]+ 401.19722 206.9
[M+K]+ 422.12656 200.9
[M+H-H2O]+ 366.16066 181.3
[M+HCOO]- 428.16160 210.9
[M+CH3COO]- 442.17725 242.1
[M+Na-2H]- 404.13807 196.2
[M]+ 383.16285 192.4
[M]- 383.16395 192.4
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.