CID 3006713

2-undecyl-2,3-dihydro-1,3-benzothiazole

Structural Information

Molecular Formula
C18H29NS
SMILES
CCCCCCCCCCCC1NC2=CC=CC=C2S1
InChI
InChI=1S/C18H29NS/c1-2-3-4-5-6-7-8-9-10-15-18-19-16-13-11-12-14-17(16)20-18/h11-14,18-19H,2-10,15H2,1H3
InChIKey
JOSGTMUGUMKQRR-UHFFFAOYSA-N
Compound name
2-undecyl-2,3-dihydro-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.20206 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20934 172.3
[M+Na]+ 314.19128 177.3
[M-H]- 290.19478 172.7
[M+NH4]+ 309.23588 189.7
[M+K]+ 330.16522 171.2
[M+H-H2O]+ 274.19932 165.3
[M+HCOO]- 336.20026 185.4
[M+CH3COO]- 350.21591 201.0
[M+Na-2H]- 312.17673 171.3
[M]+ 291.20151 175.1
[M]- 291.20261 175.1
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.