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]+ 328.201946 181.2
[M+Na]+ 350.183888 183.0
[M-H]- 326.187394 184.0
[M+NH4]+ 345.228493 194.4
[M+K]+ 366.157828 180.7
[M+H-H2O]+ 310.191930 173.2
[M+HCOO]- 372.192871 200.4
[M+CH3COO]- 386.208521 220.3
[M+Na-2H]- 348.169336 180.7
[M]+ 327.19412142 178.8
[M]- 327.19521858 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.