CID 3088380

117829-29-5

Structural Information

Molecular Formula
C20H29N3OS
SMILES
CC1C(=NN2CCN=C2S1)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C20H29N3OS/c1-12-16(22-23-9-8-21-18(23)25-12)13-10-14(19(2,3)4)17(24)15(11-13)20(5,6)7/h10-12,24H,8-9H2,1-7H3
InChIKey
DJXPVJIRGCEMRU-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(2-methyl-6,7-dihydro-2H-imidazo[2,1-b][1,3,4]thiadiazin-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

359.20312 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.21040 192.5
[M+Na]+ 382.19234 201.1
[M-H]- 358.19584 195.4
[M+NH4]+ 377.23694 205.2
[M+K]+ 398.16628 195.6
[M+H-H2O]+ 342.20038 185.5
[M+HCOO]- 404.20132 199.3
[M+CH3COO]- 418.21697 214.8
[M+Na-2H]- 380.17779 191.2
[M]+ 359.20257 194.9
[M]- 359.20367 194.9
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

patents stripe