CID 58043

Carbamic acid, n-methyl-n-(2-(5-methylthio-3-indolyl)ethyl)-, methyl ester

Structural Information

Molecular Formula
C14H18N2O2S
SMILES
CN(CCC1=CNC2=C1C=C(C=C2)SC)C(=O)OC
InChI
InChI=1S/C14H18N2O2S/c1-16(14(17)18-2)7-6-10-9-15-13-5-4-11(19-3)8-12(10)13/h4-5,8-9,15H,6-7H2,1-3H3
InChIKey
ZUXSQBZSOKPMOX-UHFFFAOYSA-N
Compound name
methyl N-methyl-N-[2-(5-methylsulfanyl-1H-indol-3-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1089 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11618 163.7
[M+Na]+ 301.09812 174.5
[M+NH4]+ 296.14272 171.4
[M+K]+ 317.07206 168.3
[M-H]- 277.10162 165.3
[M+Na-2H]- 299.08357 167.9
[M]+ 278.10835 166.0
[M]- 278.10945 166.0
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

No patent data available for this compound.