CID 204039

Brn 1074409

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]+ 242.168546 157.7
[M+Na]+ 264.150488 163.6
[M-H]- 240.153994 159.5
[M+NH4]+ 259.195093 173.8
[M+K]+ 280.124428 160.4
[M+H-H2O]+ 224.158530 149.2
[M+HCOO]- 286.159471 168.9
[M+CH3COO]- 300.175121 191.5
[M+Na-2H]- 262.135936 155.2
[M]+ 241.16072142 155.9
[M]- 241.16181858 155.9
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.