CID 477242

N-4-(2-diethylamino-ethyl)-6-methyl-n2-(5-phenyl-1h-benzoimidazol-2-yl)-pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C24H29N7
SMILES
CCN(CC)CCNC1=NC(=NC(=C1)C)NC2=NC3=C(N2)C=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H29N7/c1-4-31(5-2)14-13-25-22-15-17(3)26-23(29-22)30-24-27-20-12-11-19(16-21(20)28-24)18-9-7-6-8-10-18/h6-12,15-16H,4-5,13-14H2,1-3H3,(H3,25,26,27,28,29,30)
InChIKey
MXPUDBDTQYPXCU-UHFFFAOYSA-N
Compound name
4-N-[2-(diethylamino)ethyl]-6-methyl-2-N-(6-phenyl-1H-benzimidazol-2-yl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.24844 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.25572 200.5
[M+Na]+ 438.23766 206.9
[M-H]- 414.24116 206.5
[M+NH4]+ 433.28226 207.2
[M+K]+ 454.21160 198.9
[M+H-H2O]+ 398.24570 187.8
[M+HCOO]- 460.24664 221.3
[M+CH3COO]- 474.26229 208.3
[M+Na-2H]- 436.22311 205.6
[M]+ 415.24789 202.5
[M]- 415.24899 202.5
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.