CID 477228

Xzcxdnmlmpzmch-uhfffaoysa-n

Structural Information

Molecular Formula
C27H37Cl2N7O
SMILES
CC1=CC(=NC(=N1)NC2=NC3=CC(=C(C=C3N2)Cl)Cl)N4CCC(CC4)CCCC5CCN(CC5)CCO
InChI
InChI=1S/C27H37Cl2N7O/c1-18-15-25(33-26(30-18)34-27-31-23-16-21(28)22(29)17-24(23)32-27)36-11-7-20(8-12-36)4-2-3-19-5-9-35(10-6-19)13-14-37/h15-17,19-20,37H,2-14H2,1H3,(H2,30,31,32,33,34)
InChIKey
XZCXDNMLMPZMCH-UHFFFAOYSA-N
Compound name
2-[4-[3-[1-[2-[(5,6-dichloro-1H-benzimidazol-2-yl)amino]-6-methylpyrimidin-4-yl]piperidin-4-yl]propyl]piperidin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.24365 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.25093 231.0
[M+Na]+ 568.23287 235.4
[M-H]- 544.23637 231.8
[M+NH4]+ 563.27747 229.9
[M+K]+ 584.20681 224.5
[M+H-H2O]+ 528.24091 215.9
[M+HCOO]- 590.24185 226.9
[M+CH3COO]- 604.25750 232.7
[M+Na-2H]- 566.21832 225.5
[M]+ 545.24310 227.9
[M]- 545.24420 227.9
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.