CID 7010732

H-phe-gly-bna

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.1634 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.170676 181.6
[M+Na]+ 370.152618 184.2
[M-H]- 346.156124 187.5
[M+NH4]+ 365.197223 193.5
[M+K]+ 386.126558 179.7
[M+H-H2O]+ 330.160660 172.2
[M+HCOO]- 392.161601 203.4
[M+CH3COO]- 406.177251 220.3
[M+Na-2H]- 368.138066 185.4
[M]+ 347.16285142 178.5
[M]- 347.16394858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.