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

2
Patents

302.1089 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11618 168.0
[M+Na]+ 325.09812 172.8
[M-H]- 301.10162 171.6
[M+NH4]+ 320.14272 183.6
[M+K]+ 341.07206 168.3
[M+H-H2O]+ 285.10616 160.5
[M+HCOO]- 347.10710 185.5
[M+CH3COO]- 361.12275 208.0
[M+Na-2H]- 323.08357 171.3
[M]+ 302.10835 170.5
[M]- 302.10945 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