CID 211106

22279-14-7

Structural Information

Molecular Formula
C11H15N3S
SMILES
CC1(CN(N=C(S1)C2=CC=NC=C2)C)C
InChI
InChI=1S/C11H15N3S/c1-11(2)8-14(3)13-10(15-11)9-4-6-12-7-5-9/h4-7H,8H2,1-3H3
InChIKey
JPZCRMVZNMPTEI-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-2-pyridin-4-yl-5H-1,3,4-thiadiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09866 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10594 147.2
[M+Na]+ 244.08788 156.5
[M-H]- 220.09138 150.1
[M+NH4]+ 239.13248 164.3
[M+K]+ 260.06182 152.6
[M+H-H2O]+ 204.09592 139.1
[M+HCOO]- 266.09686 160.8
[M+CH3COO]- 280.11251 159.1
[M+Na-2H]- 242.07333 151.5
[M]+ 221.09811 147.3
[M]- 221.09921 147.3
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

patents stripe