CID 477213

N2-(5,6-dichloro-1h-benzimidazol-2-yl)-6-methyl-n4-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C18H21Cl2N7
SMILES
CC1=CC(=NC(=N1)NC2=NC3=CC(=C(C=C3N2)Cl)Cl)NCCN4CCCC4
InChI
InChI=1S/C18H21Cl2N7/c1-11-8-16(21-4-7-27-5-2-3-6-27)25-17(22-11)26-18-23-14-9-12(19)13(20)10-15(14)24-18/h8-10H,2-7H2,1H3,(H3,21,22,23,24,25,26)
InChIKey
YKZXCJUIVWIMRB-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-6-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12354 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13082 193.2
[M+Na]+ 428.11276 202.4
[M-H]- 404.11626 196.0
[M+NH4]+ 423.15736 202.0
[M+K]+ 444.08670 193.4
[M+H-H2O]+ 388.12080 181.4
[M+HCOO]- 450.12174 201.2
[M+CH3COO]- 464.13739 200.8
[M+Na-2H]- 426.09821 193.2
[M]+ 405.12299 194.7
[M]- 405.12409 194.7
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.

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No patent data available for this compound.