CID 16218543

Dtxsid50584966

Structural Information

Molecular Formula
C22H19N3O2
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC3=C(C=C2)NC4=CC=CC=C4C3=O)N
InChI
InChI=1S/C22H19N3O2/c23-18(12-14-6-2-1-3-7-14)22(27)24-15-10-11-20-17(13-15)21(26)16-8-4-5-9-19(16)25-20/h1-11,13,18H,12,23H2,(H,24,27)(H,25,26)/t18-/m0/s1
InChIKey
WINNAKHIQUIPDH-SFHVURJKSA-N
Compound name
(2S)-2-amino-N-(9-oxo-10H-acridin-2-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.14774 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.155016 182.5
[M+Na]+ 380.136958 189.4
[M-H]- 356.140464 187.8
[M+NH4]+ 375.181563 193.7
[M+K]+ 396.110898 182.3
[M+H-H2O]+ 340.145000 172.6
[M+HCOO]- 402.145941 202.0
[M+CH3COO]- 416.161591 191.6
[M+Na-2H]- 378.122406 189.0
[M]+ 357.14719142 180.8
[M]- 357.14828858 180.8
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.