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]+ 276.11650 163.5
[M+Na]+ 298.09844 171.8
[M-H]- 274.10194 169.6
[M+NH4]+ 293.14304 180.0
[M+K]+ 314.07238 168.6
[M+H-H2O]+ 258.10648 155.1
[M+HCOO]- 320.10742 181.9
[M+CH3COO]- 334.12307 202.8
[M+Na-2H]- 296.08389 163.2
[M]+ 275.10867 168.2
[M]- 275.10977 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.