CID 152423

21438-66-4

Structural Information

Molecular Formula
C21H21N3O2
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NC2=CC3=CC=CC=C3C=C2)NC(=O)CN
InChI
InChI=1S/C21H21N3O2/c22-14-20(25)24-19(12-15-6-2-1-3-7-15)21(26)23-18-11-10-16-8-4-5-9-17(16)13-18/h1-11,13,19H,12,14,22H2,(H,23,26)(H,24,25)/t19-/m0/s1
InChIKey
YABDXPBHLDPMOA-IBGZPJMESA-N
Compound name
(2S)-2-[(2-aminoacetyl)amino]-N-naphthalen-2-yl-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

101
Patents

347.1634 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.17068 181.6
[M+Na]+ 370.15262 184.2
[M-H]- 346.15612 187.5
[M+NH4]+ 365.19722 193.5
[M+K]+ 386.12656 179.7
[M+H-H2O]+ 330.16066 172.2
[M+HCOO]- 392.16160 203.4
[M+CH3COO]- 406.17725 220.3
[M+Na-2H]- 368.13807 185.4
[M]+ 347.16285 178.5
[M]- 347.16395 178.5
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

patents stripe