CID 7023497

76078-88-1

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
CSCC[C@@H](C(=O)NC1=CC2=CC=CC=C2C=C1)NC=O
InChI
InChI=1S/C16H18N2O2S/c1-21-9-8-15(17-11-19)16(20)18-14-7-6-12-4-2-3-5-13(12)10-14/h2-7,10-11,15H,8-9H2,1H3,(H,17,19)(H,18,20)/t15-/m0/s1
InChIKey
SJCDRWNGPZQCPN-HNNXBMFYSA-N
Compound name
(2S)-2-formamido-4-methylsulfanyl-N-naphthalen-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

302.1089 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.116176 168.0
[M+Na]+ 325.098118 172.8
[M-H]- 301.101624 171.6
[M+NH4]+ 320.142723 183.6
[M+K]+ 341.072058 168.3
[M+H-H2O]+ 285.106160 160.5
[M+HCOO]- 347.107101 185.5
[M+CH3COO]- 361.122751 208.0
[M+Na-2H]- 323.083566 171.3
[M]+ 302.10835142 170.5
[M]- 302.10944858 170.5
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