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]+ 316.135726 172.3
[M+Na]+ 338.117668 179.7
[M-H]- 314.121174 173.2
[M+NH4]+ 333.162273 183.0
[M+K]+ 354.091608 173.8
[M+H-H2O]+ 298.125710 163.2
[M+HCOO]- 360.126651 177.5
[M+CH3COO]- 374.142301 208.6
[M+Na-2H]- 336.103116 171.0
[M]+ 315.12790142 172.9
[M]- 315.12899858 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

literature stripe

Patent stripe

patents stripe