CID 135741309

(s)-2-amino-n-(1-oxo-1,10-dihydroacridin-2-yl)-3-phenylpropanamide

Structural Information

Molecular Formula
C22H19N3O2
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC2=C(C3=CC4=CC=CC=C4N=C3C=C2)O)N
InChI
InChI=1S/C22H19N3O2/c23-17(12-14-6-2-1-3-7-14)22(27)25-20-11-10-19-16(21(20)26)13-15-8-4-5-9-18(15)24-19/h1-11,13,17,26H,12,23H2,(H,25,27)/t17-/m0/s1
InChIKey
HYGZCMJWNAWHOP-KRWDZBQOSA-N
Compound name
(2S)-2-amino-N-(1-hydroxyacridin-2-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.14774 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15502 182.9
[M+Na]+ 380.13696 189.5
[M-H]- 356.14046 188.2
[M+NH4]+ 375.18156 194.1
[M+K]+ 396.11090 183.1
[M+H-H2O]+ 340.14500 173.0
[M+HCOO]- 402.14594 202.3
[M+CH3COO]- 416.16159 192.0
[M+Na-2H]- 378.12241 189.4
[M]+ 357.14719 181.9
[M]- 357.14829 181.9
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.