CID 605734

3420-40-4

Structural Information

Molecular Formula
C10H12N2S
SMILES
C1CN=C(SC1)NC2=CC=CC=C2
InChI
InChI=1S/C10H12N2S/c1-2-5-9(6-3-1)12-10-11-7-4-8-13-10/h1-3,5-6H,4,7-8H2,(H,11,12)
InChIKey
ITMNZMYUHMBOMN-UHFFFAOYSA-N
Compound name
N-phenyl-5,6-dihydro-4H-1,3-thiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

192.07211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07939 138.1
[M+Na]+ 215.06133 144.2
[M-H]- 191.06483 143.0
[M+NH4]+ 210.10593 156.2
[M+K]+ 231.03527 140.5
[M+H-H2O]+ 175.06937 130.6
[M+HCOO]- 237.07031 155.7
[M+CH3COO]- 251.08596 150.3
[M+Na-2H]- 213.04678 143.8
[M]+ 192.07156 134.9
[M]- 192.07266 134.9
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

patents stripe