CID 209192

19422-11-8

Structural Information

Molecular Formula
C13H19N2S
SMILES
C[N+]1=C(SCCC1)C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C13H19N2S/c1-14(2)12-7-5-11(6-8-12)13-15(3)9-4-10-16-13/h5-8H,4,9-10H2,1-3H3/q+1
InChIKey
XRPPANNNPSSRMF-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(3-methyl-5,6-dihydro-4H-1,3-thiazin-3-ium-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12689 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13417 151.3
[M+Na]+ 258.11611 157.6
[M-H]- 234.11961 158.1
[M+NH4]+ 253.16071 168.5
[M+K]+ 274.09005 149.2
[M+H-H2O]+ 218.12415 146.0
[M+HCOO]- 280.12509 167.9
[M+CH3COO]- 294.14074 190.0
[M+Na-2H]- 256.10156 155.6
[M]+ 235.12634 149.8
[M]- 235.12744 149.8
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.