CID 71623055

1448314-05-3

Structural Information

Molecular Formula
C23H18N2O3
SMILES
COC1=C(C=CC(=C1)N(C2=CC=CC=C2)C3=CC=CC=C3)/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C23H18N2O3/c1-28-22-15-21(13-12-17(22)14-18(16-24)23(26)27)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15H,1H3,(H,26,27)/b18-14+
InChIKey
OOKBWQIMMUTDEE-NBVRZTHBSA-N
Compound name
(E)-2-cyano-3-[2-methoxy-4-(N-phenylanilino)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

370.13174 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13902 197.9
[M+Na]+ 393.12096 204.9
[M-H]- 369.12446 204.5
[M+NH4]+ 388.16556 207.0
[M+K]+ 409.09490 197.9
[M+H-H2O]+ 353.12900 181.5
[M+HCOO]- 415.12994 215.3
[M+CH3COO]- 429.14559 228.0
[M+Na-2H]- 391.10641 197.6
[M]+ 370.13119 192.4
[M]- 370.13229 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

literature stripe

Patent stripe

patents stripe