CID 6391917

Nsc339429

Structural Information

Molecular Formula
C23H19N3O2
SMILES
C1=CC=C(C=C1)C2=C/C(=C/C3=CC=C(C=C3)N(CCC#N)CCC#N)/C(=O)O2
InChI
InChI=1S/C23H19N3O2/c24-12-4-14-26(15-5-13-25)21-10-8-18(9-11-21)16-20-17-22(28-23(20)27)19-6-2-1-3-7-19/h1-3,6-11,16-17H,4-5,14-15H2/b20-16-
InChIKey
JITIWWAVXFZXIM-SILNSSARSA-N
Compound name
3-[N-(2-cyanoethyl)-4-[(Z)-(2-oxo-5-phenylfuran-3-ylidene)methyl]anilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.14774 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15502 196.6
[M+Na]+ 392.13696 206.0
[M-H]- 368.14046 202.4
[M+NH4]+ 387.18156 204.3
[M+K]+ 408.11090 197.8
[M+H-H2O]+ 352.14500 178.4
[M+HCOO]- 414.14594 208.4
[M+CH3COO]- 428.16159 239.5
[M+Na-2H]- 390.12241 194.2
[M]+ 369.14719 189.2
[M]- 369.14829 189.2
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.