CID 71295786

(11c)ly 2428703

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
C[C@@H]1C[C@H]1C(=O)NC2=C(C(=NS2)C3=CC=C(C=C3)O[11CH3])C
InChI
InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)/t9-,13-/m1/s1/i3-1
InChIKey
HSEURPKENJFQMI-LBWXBEKWSA-N
Compound name
(1R,2R)-N-[3-(4-(111C)methoxyphenyl)-4-methyl-1,2-thiazol-5-yl]-2-methylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.12033 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12761 163.9
[M+Na]+ 324.10955 174.1
[M-H]- 300.11305 173.8
[M+NH4]+ 319.15415 175.7
[M+K]+ 340.08349 168.7
[M+H-H2O]+ 284.11759 156.7
[M+HCOO]- 346.11853 183.3
[M+CH3COO]- 360.13418 207.8
[M+Na-2H]- 322.09500 163.2
[M]+ 301.11978 170.7
[M]- 301.12088 170.7
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.