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]+ 358.15502 182.5
[M+Na]+ 380.13696 189.4
[M-H]- 356.14046 187.8
[M+NH4]+ 375.18156 193.7
[M+K]+ 396.11090 182.3
[M+H-H2O]+ 340.14500 172.6
[M+HCOO]- 402.14594 202.0
[M+CH3COO]- 416.16159 191.6
[M+Na-2H]- 378.12241 189.0
[M]+ 357.14719 180.8
[M]- 357.14829 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.