CID 7020027

201988-95-6

Structural Information

Molecular Formula
C15H17N3O2
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CCC(=O)N)N
InChI
InChI=1S/C15H17N3O2/c16-13(7-8-14(17)19)15(20)18-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8,16H2,(H2,17,19)(H,18,20)/t13-/m0/s1
InChIKey
SCBLXQAXDOWFIH-ZDUSSCGKSA-N
Compound name
(2S)-2-amino-N-naphthalen-2-ylpentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

271.13208 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 162.0
[M+Na]+ 294.121298 166.1
[M-H]- 270.124804 165.0
[M+NH4]+ 289.165903 177.4
[M+K]+ 310.095238 163.1
[M+H-H2O]+ 254.129340 154.4
[M+HCOO]- 316.130281 184.0
[M+CH3COO]- 330.145931 206.5
[M+Na-2H]- 292.106746 165.0
[M]+ 271.13153142 158.5
[M]- 271.13262858 158.5
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

patents stripe