CID 7015845

H-ala-ala-bna

Structural Information

Molecular Formula
C16H19N3O2
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)NC1=CC2=CC=CC=C2C=C1)N
InChI
InChI=1S/C16H19N3O2/c1-10(17)15(20)18-11(2)16(21)19-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,17H2,1-2H3,(H,18,20)(H,19,21)/t10-,11-/m0/s1
InChIKey
XDWBXMVFTBENCK-QWRGUYRKSA-N
Compound name
(2S)-2-amino-N-[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

285.14774 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15502 167.1
[M+Na]+ 308.13696 170.6
[M-H]- 284.14046 170.5
[M+NH4]+ 303.18156 182.1
[M+K]+ 324.11090 168.2
[M+H-H2O]+ 268.14500 159.5
[M+HCOO]- 330.14594 188.3
[M+CH3COO]- 344.16159 210.4
[M+Na-2H]- 306.12241 169.4
[M]+ 285.14719 164.2
[M]- 285.14829 164.2
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

patents stripe