CID 5279718

Schembl1495224

Structural Information

Molecular Formula
C25H35N5O2
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CC(C(C)C)O)CC4=C(C=CC(=N4)C)O
InChI
InChI=1S/C25H35N5O2/c1-16(2)23(32)15-29-12-10-19(11-13-29)27-25-28-24-17(3)6-5-7-21(24)30(25)14-20-22(31)9-8-18(4)26-20/h5-9,16,19,23,31-32H,10-15H2,1-4H3,(H,27,28)
InChIKey
CWLPIXJAEGIAEL-UHFFFAOYSA-N
Compound name
2-[[2-[[1-(2-hydroxy-3-methylbutyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

437.27908 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.28636 211.0
[M+Na]+ 460.26830 215.8
[M-H]- 436.27180 213.9
[M+NH4]+ 455.31290 216.2
[M+K]+ 476.24224 208.8
[M+H-H2O]+ 420.27634 199.6
[M+HCOO]- 482.27728 221.4
[M+CH3COO]- 496.29293 216.6
[M+Na-2H]- 458.25375 207.4
[M]+ 437.27853 209.7
[M]- 437.27963 209.7
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.