CID 7010559

H-leu-ala-betana

Structural Information

Molecular Formula
C19H25N3O2
SMILES
C[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CC(C)C)N
InChI
InChI=1S/C19H25N3O2/c1-12(2)10-17(20)19(24)21-13(3)18(23)22-16-9-8-14-6-4-5-7-15(14)11-16/h4-9,11-13,17H,10,20H2,1-3H3,(H,21,24)(H,22,23)/t13-,17-/m0/s1
InChIKey
IVLQGCHRBLYVPB-GUYCJALGSA-N
Compound name
(2S)-2-amino-4-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.19467 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20195 180.6
[M+Na]+ 350.18389 188.0
[M+NH4]+ 345.22849 186.3
[M+K]+ 366.15783 183.6
[M-H]- 326.18739 182.8
[M+Na-2H]- 348.16934 183.6
[M]+ 327.19412 181.7
[M]- 327.19522 181.7
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.