CID 477235

N2-(1h-benzimidazol-2-yl)-n4-(2-diethylaminoethyl)-6-methyl-pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C18H25N7
SMILES
CCN(CC)CCNC1=NC(=NC(=C1)C)NC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C18H25N7/c1-4-25(5-2)11-10-19-16-12-13(3)20-17(23-16)24-18-21-14-8-6-7-9-15(14)22-18/h6-9,12H,4-5,10-11H2,1-3H3,(H3,19,20,21,22,23,24)
InChIKey
IJSXRBJDPMTRET-UHFFFAOYSA-N
Compound name
2-N-(1H-benzimidazol-2-yl)-4-N-[2-(diethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21713 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22441 180.6
[M+Na]+ 362.20635 187.6
[M-H]- 338.20985 183.6
[M+NH4]+ 357.25095 190.8
[M+K]+ 378.18029 181.6
[M+H-H2O]+ 322.21439 169.3
[M+HCOO]- 384.21533 202.4
[M+CH3COO]- 398.23098 189.8
[M+Na-2H]- 360.19180 186.9
[M]+ 339.21658 182.8
[M]- 339.21768 182.8
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.