CID 209047

19138-33-1

Structural Information

Molecular Formula
C10H13N3S
SMILES
CC1CN(N=C(S1)C2=CN=CC=C2)C
InChI
InChI=1S/C10H13N3S/c1-8-7-13(2)12-10(14-8)9-4-3-5-11-6-9/h3-6,8H,7H2,1-2H3
InChIKey
MPIGEPZCRJIELR-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-pyridin-3-yl-5,6-dihydro-1,3,4-thiadiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.08302 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09030 143.9
[M+Na]+ 230.07224 152.8
[M-H]- 206.07574 146.7
[M+NH4]+ 225.11684 159.6
[M+K]+ 246.04618 148.7
[M+H-H2O]+ 190.08028 135.5
[M+HCOO]- 252.08122 157.8
[M+CH3COO]- 266.09687 155.8
[M+Na-2H]- 228.05769 147.4
[M]+ 207.08247 143.3
[M]- 207.08357 143.3
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.