CID 68725

Iprozilamine

Structural Information

Molecular Formula
C13H22ClN5S
SMILES
CC(C)NC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)C
InChI
InChI=1S/C13H22ClN5S/c1-9(2)15-13-16-11(14)10(20-4)12(17-13)19-7-5-18(3)6-8-19/h9H,5-8H2,1-4H3,(H,15,16,17)
InChIKey
UMMYPDFDLDVDCZ-UHFFFAOYSA-N
Compound name
4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanyl-N-propan-2-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

35
Patents

315.12845 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13573 172.3
[M+Na]+ 338.11767 179.7
[M-H]- 314.12117 173.2
[M+NH4]+ 333.16227 183.0
[M+K]+ 354.09161 173.8
[M+H-H2O]+ 298.12571 163.2
[M+HCOO]- 360.12665 177.5
[M+CH3COO]- 374.14230 208.6
[M+Na-2H]- 336.10312 171.0
[M]+ 315.12790 172.9
[M]- 315.12900 172.9
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.