CID 470485

Chembl339054

Structural Information

Molecular Formula
C19H24ClN3S
SMILES
CC1(CCC(C2=C1C=CC(=C2)CSC3=NC(=CC(=N3)Cl)N)(C)C)C
InChI
InChI=1S/C19H24ClN3S/c1-18(2)7-8-19(3,4)14-9-12(5-6-13(14)18)11-24-17-22-15(20)10-16(21)23-17/h5-6,9-10H,7-8,11H2,1-4H3,(H2,21,22,23)
InChIKey
PGSLXAKJPLTUJM-UHFFFAOYSA-N
Compound name
6-chloro-2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.13794 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14522 180.6
[M+Na]+ 384.12716 190.9
[M-H]- 360.13066 185.0
[M+NH4]+ 379.17176 197.2
[M+K]+ 400.10110 183.5
[M+H-H2O]+ 344.13520 173.0
[M+HCOO]- 406.13614 188.4
[M+CH3COO]- 420.15179 190.6
[M+Na-2H]- 382.11261 183.1
[M]+ 361.13739 183.8
[M]- 361.13849 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.