CID 322262

30076-55-2

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)N3CCCCC3
InChI
InChI=1S/C15H19N3O2S/c1-2-20-15(19)16-11-6-7-12-13(10-11)21-14(17-12)18-8-4-3-5-9-18/h6-7,10H,2-5,8-9H2,1H3,(H,16,19)
InChIKey
WAXXZUMFWXSUSF-UHFFFAOYSA-N
Compound name
ethyl N-(2-piperidin-1-yl-1,3-benzothiazol-6-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1198 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12708 168.3
[M+Na]+ 328.10902 175.2
[M-H]- 304.11252 173.1
[M+NH4]+ 323.15362 183.7
[M+K]+ 344.08296 171.0
[M+H-H2O]+ 288.11706 160.1
[M+HCOO]- 350.11800 183.3
[M+CH3COO]- 364.13365 178.8
[M+Na-2H]- 326.09447 169.9
[M]+ 305.11925 169.6
[M]- 305.12035 169.6
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

No patent data available for this compound.