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]+ 348.17068 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.