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

150
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 156.9
[M+Na]+ 265.13112 161.8
[M-H]- 241.13462 160.5
[M+NH4]+ 260.17572 174.4
[M+K]+ 281.10506 158.8
[M+H-H2O]+ 225.13916 149.9
[M+HCOO]- 287.14010 178.2
[M+CH3COO]- 301.15575 200.4
[M+Na-2H]- 263.11657 160.4
[M]+ 242.14135 154.4
[M]- 242.14245 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