CID 477234

6-chloro-n2-[4-(2-diethylamino-ethylamino)-6-methyl-pyrimidin-2-yl]-1h-benzoimidazole-2,4-diamine

Structural Information

Molecular Formula
C18H25ClN8
SMILES
CCN(CC)CCNC1=NC(=NC(=C1)C)NC2=NC3=C(C=C(C=C3N2)Cl)N
InChI
InChI=1S/C18H25ClN8/c1-4-27(5-2)7-6-21-15-8-11(3)22-17(24-15)26-18-23-14-10-12(19)9-13(20)16(14)25-18/h8-10H,4-7,20H2,1-3H3,(H3,21,22,23,24,25,26)
InChIKey
CPZCJUNFKCKJMD-UHFFFAOYSA-N
Compound name
6-chloro-2-N-[4-[2-(diethylamino)ethylamino]-6-methylpyrimidin-2-yl]-1H-benzimidazole-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.18906 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19634 193.2
[M+Na]+ 411.17828 201.7
[M-H]- 387.18178 196.2
[M+NH4]+ 406.22288 202.3
[M+K]+ 427.15222 194.4
[M+H-H2O]+ 371.18632 182.5
[M+HCOO]- 433.18726 210.7
[M+CH3COO]- 447.20291 201.7
[M+Na-2H]- 409.16373 197.1
[M]+ 388.18851 196.7
[M]- 388.18961 196.7
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.