CID 490970

1-cyclohexyl-2-[4-[2-[3-(dimethylamino)propylamino]-2-oxo-ethoxy]phenyl]-n-[(1r)-1-(2-naphthyl)ethyl]benzimidazole-5-carboxamide

Structural Information

Molecular Formula
C39H45N5O3
SMILES
C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C3=CC4=C(C=C3)N(C(=N4)C5=CC=C(C=C5)OCC(=O)NCCCN(C)C)C6CCCCC6
InChI
InChI=1S/C39H45N5O3/c1-27(30-15-14-28-10-7-8-11-31(28)24-30)41-39(46)32-18-21-36-35(25-32)42-38(44(36)33-12-5-4-6-13-33)29-16-19-34(20-17-29)47-26-37(45)40-22-9-23-43(2)3/h7-8,10-11,14-21,24-25,27,33H,4-6,9,12-13,22-23,26H2,1-3H3,(H,40,45)(H,41,46)/t27-/m1/s1
InChIKey
RWRKJRPRMDSYDM-HHHXNRCGSA-N
Compound name
1-cyclohexyl-2-[4-[2-[3-(dimethylamino)propylamino]-2-oxoethoxy]phenyl]-N-[(1R)-1-naphthalen-2-ylethyl]benzimidazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

631.35223 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 632.35951 251.0
[M+Na]+ 654.34145 249.0
[M-H]- 630.34495 261.3
[M+NH4]+ 649.38605 250.8
[M+K]+ 670.31539 243.6
[M+H-H2O]+ 614.34949 236.3
[M+HCOO]- 676.35043 264.3
[M+CH3COO]- 690.36608 253.2
[M+Na-2H]- 652.32690 247.7
[M]+ 631.35168 250.7
[M]- 631.35278 250.7
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.