CID 204039

15620-49-2

Structural Information

Molecular Formula
C12H23N3S
SMILES
CC1CN(N=C(S1)CCCN2CCCC2)C
InChI
InChI=1S/C12H23N3S/c1-11-10-14(2)13-12(16-11)6-5-9-15-7-3-4-8-15/h11H,3-10H2,1-2H3
InChIKey
SEJFSLCYPSGSFD-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-(3-pyrrolidin-1-ylpropyl)-5,6-dihydro-1,3,4-thiadiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.16127 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.16855 158.2
[M+Na]+ 264.15049 168.5
[M+NH4]+ 259.19509 166.5
[M+K]+ 280.12443 161.3
[M-H]- 240.15399 160.4
[M+Na-2H]- 262.13594 162.1
[M]+ 241.16072 160.6
[M]- 241.16182 160.6
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.