CID 6434886

64895-08-5

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]+ 341.12848 179.2
[M+Na]+ 363.11042 187.4
[M-H]- 339.11392 185.1
[M+NH4]+ 358.15502 191.8
[M+K]+ 379.08436 179.8
[M+H-H2O]+ 323.11846 169.3
[M+HCOO]- 385.11940 199.4
[M+CH3COO]- 399.13505 189.3
[M+Na-2H]- 361.09587 187.1
[M]+ 340.12065 179.6
[M]- 340.12175 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.