CID 6434886

Cinnamic acid, p-(9-acridinylamino)-

Structural Information

Molecular Formula
C22H16N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)/C=C/C(=O)O
InChI
InChI=1S/C22H16N2O2/c25-21(26)14-11-15-9-12-16(13-10-15)23-22-17-5-1-3-7-19(17)24-20-8-4-2-6-18(20)22/h1-14H,(H,23,24)(H,25,26)/b14-11+
InChIKey
LMVFFUJWDFBQPK-SDNWHVSQSA-N
Compound name
(E)-3-[4-(acridin-9-ylamino)phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

340.1212 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.128476 179.2
[M+Na]+ 363.110418 187.4
[M-H]- 339.113924 185.1
[M+NH4]+ 358.155023 191.8
[M+K]+ 379.084358 179.8
[M+H-H2O]+ 323.118460 169.3
[M+HCOO]- 385.119401 199.4
[M+CH3COO]- 399.135051 189.3
[M+Na-2H]- 361.095866 187.1
[M]+ 340.12065142 179.6
[M]- 340.12174858 179.6
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

No patent data available for this compound.