CID 511013

Jnj-2408068

Structural Information

Molecular Formula
C22H30N6O
SMILES
CC1=C2C(=CC=C1)N(C(=N2)NC3CCN(CC3)CCN)CC4=C(C=CC(=N4)C)O
InChI
InChI=1S/C22H30N6O/c1-15-4-3-5-19-21(15)26-22(25-17-8-11-27(12-9-17)13-10-23)28(19)14-18-20(29)7-6-16(2)24-18/h3-7,17,29H,8-14,23H2,1-2H3,(H,25,26)
InChIKey
RDQSNNMSDOHAPG-UHFFFAOYSA-N
Compound name
2-[[2-[[1-(2-aminoethyl)piperidin-4-yl]amino]-4-methylbenzimidazol-1-yl]methyl]-6-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

87
Patents

394.2481 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.25538 198.8
[M+Na]+ 417.23732 205.6
[M-H]- 393.24082 202.8
[M+NH4]+ 412.28192 206.2
[M+K]+ 433.21126 197.6
[M+H-H2O]+ 377.24536 187.1
[M+HCOO]- 439.24630 214.1
[M+CH3COO]- 453.26195 206.0
[M+Na-2H]- 415.22277 198.9
[M]+ 394.24755 196.6
[M]- 394.24865 196.6
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.