CID 139597602

Bas 479 sh

Structural Information

Molecular Formula
C14H17N3OS
SMILES
CC1=C(C(=CC=C1)C)N(CN2C=CC=N2)C(=O)CS
InChI
InChI=1S/C14H17N3OS/c1-11-5-3-6-12(2)14(11)17(13(18)9-19)10-16-8-4-7-15-16/h3-8,19H,9-10H2,1-2H3
InChIKey
WESRXBQYMYZDJO-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)-2-sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

275.10922 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.116496 163.5
[M+Na]+ 298.098438 171.8
[M-H]- 274.101944 169.6
[M+NH4]+ 293.143043 180.0
[M+K]+ 314.072378 168.6
[M+H-H2O]+ 258.106480 155.1
[M+HCOO]- 320.107421 181.9
[M+CH3COO]- 334.123071 202.8
[M+Na-2H]- 296.083886 163.2
[M]+ 275.10867142 168.2
[M]- 275.10976858 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.