CID 5489997

Lys-ala-beta na

Structural Information

Molecular Formula
C19H26N4O2
SMILES
C[C@@H](C(=O)NC(=O)[C@H](CCCCN)N)NC1=CC2=CC=CC=C2C=C1
InChI
InChI=1S/C19H26N4O2/c1-13(18(24)23-19(25)17(21)8-4-5-11-20)22-16-10-9-14-6-2-3-7-15(14)12-16/h2-3,6-7,9-10,12-13,17,22H,4-5,8,11,20-21H2,1H3,(H,23,24,25)/t13-,17-/m0/s1
InChIKey
USNHVCKBXIKNQN-GUYCJALGSA-N
Compound name
(2S)-2,6-diamino-N-[(2S)-2-(naphthalen-2-ylamino)propanoyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.20557 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.212846 183.2
[M+Na]+ 365.194788 184.4
[M-H]- 341.198294 185.4
[M+NH4]+ 360.239393 195.2
[M+K]+ 381.168728 181.5
[M+H-H2O]+ 325.202830 174.6
[M+HCOO]- 387.203771 203.8
[M+CH3COO]- 401.219421 224.2
[M+Na-2H]- 363.180236 183.5
[M]+ 342.20502142 179.7
[M]- 342.20611858 179.7
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

No patent data available for this compound.