CID 27160378

Dn-f01

Structural Information

Molecular Formula
C22H16N2O2
SMILES
C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C22H16N2O2/c23-16-18(22(25)26)15-17-11-13-21(14-12-17)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15H,(H,25,26)/b18-15+
InChIKey
DTGGJUIFYJXAJI-OBGWFSINSA-N
Compound name
(E)-2-cyano-3-[4-(N-phenylanilino)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

75
Patents

340.1212 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12848 191.8
[M+Na]+ 363.11042 198.6
[M-H]- 339.11392 198.1
[M+NH4]+ 358.15502 201.7
[M+K]+ 379.08436 190.8
[M+H-H2O]+ 323.11846 175.6
[M+HCOO]- 385.11940 209.2
[M+CH3COO]- 399.13505 222.4
[M+Na-2H]- 361.09587 192.4
[M]+ 340.12065 184.3
[M]- 340.12175 184.3
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