CID 477203

Sqfqkqwvrlrifn-uhfffaoysa-n

Structural Information

Molecular Formula
C17H21Cl2N7
SMILES
CC1=CC(=NC(=N1)NC2=NC3=CC(=C(C=C3N2)Cl)Cl)NC(C)CN(C)C
InChI
InChI=1S/C17H21Cl2N7/c1-9-5-15(20-10(2)8-26(3)4)24-16(21-9)25-17-22-13-6-11(18)12(19)7-14(13)23-17/h5-7,10H,8H2,1-4H3,(H3,20,21,22,23,24,25)
InChIKey
SQFQKQWVRLRIFN-UHFFFAOYSA-N
Compound name
2-N-(5,6-dichloro-1H-benzimidazol-2-yl)-4-N-[1-(dimethylamino)propan-2-yl]-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.12354 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13082 191.8
[M+Na]+ 416.11276 201.5
[M-H]- 392.11626 194.5
[M+NH4]+ 411.15736 201.6
[M+K]+ 432.08670 194.2
[M+H-H2O]+ 376.12080 181.8
[M+HCOO]- 438.12174 203.0
[M+CH3COO]- 452.13739 200.5
[M+Na-2H]- 414.09821 194.3
[M]+ 393.12299 197.1
[M]- 393.12409 197.1
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.