CID 3046338

61982-28-3

Structural Information

Molecular Formula
C14H21NS
SMILES
CCCCC1NC(C2=CC=CC=C2S1)(C)C
InChI
InChI=1S/C14H21NS/c1-4-5-10-13-15-14(2,3)11-8-6-7-9-12(11)16-13/h6-9,13,15H,4-5,10H2,1-3H3
InChIKey
KNZVCHXQBGPEEE-UHFFFAOYSA-N
Compound name
2-butyl-4,4-dimethyl-2,3-dihydro-1,3-benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13947 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14675 152.4
[M+Na]+ 258.12869 159.7
[M-H]- 234.13219 153.7
[M+NH4]+ 253.17329 172.3
[M+K]+ 274.10263 154.8
[M+H-H2O]+ 218.13673 146.5
[M+HCOO]- 280.13767 164.5
[M+CH3COO]- 294.15332 190.1
[M+Na-2H]- 256.11414 155.8
[M]+ 235.13892 152.2
[M]- 235.14002 152.2
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.