CID 671223

729-24-8

Structural Information

Molecular Formula
C15H18N2O
SMILES
CC(C)[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)N
InChI
InChI=1S/C15H18N2O/c1-10(2)14(16)15(18)17-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,14H,16H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKey
OBGGZBHESVNMSA-AWEZNQCLSA-N
Compound name
(2S)-2-amino-3-methyl-N-naphthalen-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

242.1419 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 156.9
[M+Na]+ 265.131118 161.8
[M-H]- 241.134624 160.5
[M+NH4]+ 260.175723 174.4
[M+K]+ 281.105058 158.8
[M+H-H2O]+ 225.139160 149.9
[M+HCOO]- 287.140101 178.1
[M+CH3COO]- 301.155751 200.4
[M+Na-2H]- 263.116566 160.4
[M]+ 242.14135142 154.4
[M]- 242.14244858 154.4
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