CID 7020867

H-cit-bna hbr

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CC(=O)NCCC[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)N
InChI
InChI=1S/C17H21N3O2/c1-12(21)19-10-4-7-16(18)17(22)20-15-9-8-13-5-2-3-6-14(13)11-15/h2-3,5-6,8-9,11,16H,4,7,10,18H2,1H3,(H,19,21)(H,20,22)/t16-/m0/s1
InChIKey
CAJFDYJWUJVWHG-INIZCTEOSA-N
Compound name
(2S)-5-acetamido-2-amino-N-naphthalen-2-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1634 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.170676 170.9
[M+Na]+ 322.152618 174.3
[M-H]- 298.156124 174.1
[M+NH4]+ 317.197223 185.5
[M+K]+ 338.126558 171.1
[M+H-H2O]+ 282.160660 163.0
[M+HCOO]- 344.161601 192.9
[M+CH3COO]- 358.177251 212.4
[M+Na-2H]- 320.138066 174.0
[M]+ 299.16285142 169.1
[M]- 299.16394858 169.1
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.