CID 492868

6-tert-butyl-2-[1-(4-isopropyl-2-pyridyl)ethylsulfanyl]pyrimidin-4-amine

Structural Information

Molecular Formula
C18H26N4S
SMILES
CC(C)C1=CC(=NC=C1)C(C)SC2=NC(=CC(=N2)N)C(C)(C)C
InChI
InChI=1S/C18H26N4S/c1-11(2)13-7-8-20-14(9-13)12(3)23-17-21-15(18(4,5)6)10-16(19)22-17/h7-12H,1-6H3,(H2,19,21,22)
InChIKey
HUJRLRFHMZHZRZ-UHFFFAOYSA-N
Compound name
6-tert-butyl-2-[1-(4-propan-2-ylpyridin-2-yl)ethylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1878 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.19508 181.4
[M+Na]+ 353.17702 188.5
[M-H]- 329.18052 183.9
[M+NH4]+ 348.22162 191.9
[M+K]+ 369.15096 183.0
[M+H-H2O]+ 313.18506 172.3
[M+HCOO]- 375.18600 192.2
[M+CH3COO]- 389.20165 214.8
[M+Na-2H]- 351.16247 180.7
[M]+ 330.18725 183.3
[M]- 330.18835 183.3
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

No patent data available for this compound.