CID 17754357

A-836339

Structural Information

Molecular Formula
C16H26N2O2S
SMILES
CC1=C(SC(=NC(=O)C2C(C2(C)C)(C)C)N1CCOC)C
InChI
InChI=1S/C16H26N2O2S/c1-10-11(2)21-14(18(10)8-9-20-7)17-13(19)12-15(3,4)16(12,5)6/h12H,8-9H2,1-7H3
InChIKey
JKGIMVBQKSRTGX-UHFFFAOYSA-N
Compound name
N-[3-(2-methoxyethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

23
Patents

310.1715 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17878 165.2
[M+Na]+ 333.16072 176.4
[M-H]- 309.16422 173.4
[M+NH4]+ 328.20532 181.6
[M+K]+ 349.13466 173.4
[M+H-H2O]+ 293.16876 161.0
[M+HCOO]- 355.16970 183.2
[M+CH3COO]- 369.18535 213.4
[M+Na-2H]- 331.14617 165.1
[M]+ 310.17095 176.7
[M]- 310.17205 176.7
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

patents stripe