CID 3046340

61982-31-8

Structural Information

Molecular Formula
C16H25NS
SMILES
CCCCC1NC(C2=CC=CC=C2S1)(CC)CC
InChI
InChI=1S/C16H25NS/c1-4-7-12-15-17-16(5-2,6-3)13-10-8-9-11-14(13)18-15/h8-11,15,17H,4-7,12H2,1-3H3
InChIKey
GGLJAPARTOKWIH-UHFFFAOYSA-N
Compound name
2-butyl-4,4-diethyl-2,3-dihydro-1,3-benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.17078 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17806 161.1
[M+Na]+ 286.16000 167.4
[M-H]- 262.16350 161.9
[M+NH4]+ 281.20460 179.8
[M+K]+ 302.13394 162.0
[M+H-H2O]+ 246.16804 154.7
[M+HCOO]- 308.16898 172.4
[M+CH3COO]- 322.18463 196.0
[M+Na-2H]- 284.14545 163.5
[M]+ 263.17023 161.5
[M]- 263.17133 161.5
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.