CID 477240

N2-(5,6-dimethyl-1h-benzimidazol-2-yl)-n4-(1-ethyl-3-piperidyl)-6-methyl-pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C21H29N7
SMILES
CCN1CCCC(C1)NC2=NC(=NC(=C2)C)NC3=NC4=C(N3)C=C(C(=C4)C)C
InChI
InChI=1S/C21H29N7/c1-5-28-8-6-7-16(12-28)23-19-11-15(4)22-20(26-19)27-21-24-17-9-13(2)14(3)10-18(17)25-21/h9-11,16H,5-8,12H2,1-4H3,(H3,22,23,24,25,26,27)
InChIKey
WEZCIEDSFRHTEZ-UHFFFAOYSA-N
Compound name
2-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-N-(1-ethylpiperidin-3-yl)-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.24844 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25572 196.9
[M+Na]+ 402.23766 204.4
[M-H]- 378.24116 200.2
[M+NH4]+ 397.28226 203.8
[M+K]+ 418.21160 195.7
[M+H-H2O]+ 362.24570 184.6
[M+HCOO]- 424.24664 211.5
[M+CH3COO]- 438.26229 204.1
[M+Na-2H]- 400.22311 198.1
[M]+ 379.24789 194.4
[M]- 379.24899 194.4
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.