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

84
Patents

271.13208 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.13936 162.0
[M+Na]+ 294.12130 166.1
[M-H]- 270.12480 165.0
[M+NH4]+ 289.16590 177.4
[M+K]+ 310.09524 163.1
[M+H-H2O]+ 254.12934 154.4
[M+HCOO]- 316.13028 184.0
[M+CH3COO]- 330.14593 206.5
[M+Na-2H]- 292.10675 165.0
[M]+ 271.13153 158.5
[M]- 271.13263 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