CID 688379

3313-39-1

Structural Information

Molecular Formula
C14H15N3O2
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CC(=O)N)N
InChI
InChI=1S/C14H15N3O2/c15-12(8-13(16)18)14(19)17-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12H,8,15H2,(H2,16,18)(H,17,19)/t12-/m0/s1
InChIKey
LMENXDIQSZMBBL-LBPRGKRZSA-N
Compound name
(2S)-2-amino-N-naphthalen-2-ylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

257.11642 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 158.4
[M+Na]+ 280.10564 167.3
[M+NH4]+ 275.15024 165.1
[M+K]+ 296.07958 162.7
[M-H]- 256.10914 161.0
[M+Na-2H]- 278.09109 163.0
[M]+ 257.11587 159.9
[M]- 257.11697 159.9
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