CID 477224

Vqkwwoffqhmjjj-uhfffaoysa-n

Structural Information

Molecular Formula
C20H25Cl2N7
SMILES
CCCN1CCC(CC1)NC2=NC(=NC(=C2)C)NC3=NC4=CC(=C(C=C4N3)Cl)Cl
InChI
InChI=1S/C20H25Cl2N7/c1-3-6-29-7-4-13(5-8-29)24-18-9-12(2)23-19(27-18)28-20-25-16-10-14(21)15(22)11-17(16)26-20/h9-11,13H,3-8H2,1-2H3,(H3,23,24,25,26,27,28)
InChIKey
VQKWWOFFQHMJJJ-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-6-methyl-4-N-(1-propylpiperidin-4-yl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.15485 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.16213 203.1
[M+Na]+ 456.14407 211.6
[M-H]- 432.14757 205.0
[M+NH4]+ 451.18867 209.1
[M+K]+ 472.11801 201.7
[M+H-H2O]+ 416.15211 190.7
[M+HCOO]- 478.15305 208.1
[M+CH3COO]- 492.16870 209.3
[M+Na-2H]- 454.12952 203.5
[M]+ 433.15430 203.4
[M]- 433.15540 203.4
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.