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 181.2
[M+Na]+ 350.18389 183.0
[M-H]- 326.18739 184.0
[M+NH4]+ 345.22849 194.4
[M+K]+ 366.15783 180.7
[M+H-H2O]+ 310.19193 173.2
[M+HCOO]- 372.19287 200.4
[M+CH3COO]- 386.20852 220.3
[M+Na-2H]- 348.16934 180.7
[M]+ 327.19412 178.8
[M]- 327.19522 178.8
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.