CID 155152184

5-methyl-n-{spiro[3.4]octan-1-yl}-2-[(1,2-thiazol-4-yl)amino]-1,3-thiazole-4-carboxamide

Structural Information

Molecular Formula
C16H20N4OS2
SMILES
CC1=C(N=C(S1)NC2=CSN=C2)C(=O)NC3CCC34CCCC4
InChI
InChI=1S/C16H20N4OS2/c1-10-13(20-15(23-10)18-11-8-17-22-9-11)14(21)19-12-4-7-16(12)5-2-3-6-16/h8-9,12H,2-7H2,1H3,(H,18,20)(H,19,21)
InChIKey
JXFHEAMDSGOLLM-UHFFFAOYSA-N
Compound name
5-methyl-N-spiro[3.4]octan-3-yl-2-(1,2-thiazol-4-ylamino)-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

348.10785 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11513 170.9
[M+Na]+ 371.09707 176.0
[M-H]- 347.10057 180.4
[M+NH4]+ 366.14167 182.7
[M+K]+ 387.07101 175.1
[M+H-H2O]+ 331.10511 159.1
[M+HCOO]- 393.10605 183.8
[M+CH3COO]- 407.12170 180.8
[M+Na-2H]- 369.08252 168.1
[M]+ 348.10730 180.6
[M]- 348.10840 180.6
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

patents stripe