CID 2342120

91557-27-6

Structural Information

Molecular Formula
C12H16N2OS
SMILES
CC1=CC(=C(C=C1)OC)NC2=NCCCS2
InChI
InChI=1S/C12H16N2OS/c1-9-4-5-11(15-2)10(8-9)14-12-13-6-3-7-16-12/h4-5,8H,3,6-7H2,1-2H3,(H,13,14)
InChIKey
LQSRHZWIYCSFAJ-UHFFFAOYSA-N
Compound name
N-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

236.09833 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.105606 150.9
[M+Na]+ 259.087548 157.8
[M-H]- 235.091054 156.2
[M+NH4]+ 254.132153 167.8
[M+K]+ 275.061488 154.0
[M+H-H2O]+ 219.095590 143.2
[M+HCOO]- 281.096531 168.0
[M+CH3COO]- 295.112181 191.5
[M+Na-2H]- 257.072996 154.2
[M]+ 236.09778142 150.7
[M]- 236.09887858 150.7
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.