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

149
Patents

242.1419 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 157.0
[M+Na]+ 265.13112 167.7
[M+NH4]+ 260.17572 165.1
[M+K]+ 281.10506 161.7
[M-H]- 241.13462 160.4
[M+Na-2H]- 263.11657 162.7
[M]+ 242.14135 159.2
[M]- 242.14245 159.2
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