CID 289756

Nsc151999

Structural Information

Molecular Formula
C21H29Cl2N7
SMILES
CCN(CC)CCCC(C)NC1=NC(=NC(=C1)C)NC2=NC3=CC(=C(C=C3N2)Cl)Cl
InChI
InChI=1S/C21H29Cl2N7/c1-5-30(6-2)9-7-8-13(3)24-19-10-14(4)25-20(28-19)29-21-26-17-11-15(22)16(23)12-18(17)27-21/h10-13H,5-9H2,1-4H3,(H3,24,25,26,27,28,29)
InChIKey
DMSSJMWSFBQXLA-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[5-(diethylamino)pentan-2-yl]-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.18616 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.19344 208.7
[M+Na]+ 472.17538 216.5
[M-H]- 448.17888 210.7
[M+NH4]+ 467.21998 216.3
[M+K]+ 488.14932 208.5
[M+H-H2O]+ 432.18342 197.9
[M+HCOO]- 494.18436 218.5
[M+CH3COO]- 508.20001 240.2
[M+Na-2H]- 470.16083 209.2
[M]+ 449.18561 215.3
[M]- 449.18671 215.3
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.