CID 3019426

83863-67-6

Structural Information

Molecular Formula
C30H34N4O
SMILES
CC(=C)N1C2=CC=CC=C2N(C1=O)CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H34N4O/c1-24(2)34-28-17-10-9-16-27(28)33(30(34)35)19-11-18-31-20-22-32(23-21-31)29(25-12-5-3-6-13-25)26-14-7-4-8-15-26/h3-10,12-17,29H,1,11,18-23H2,2H3
InChIKey
ZWSPGJJMVIEYKJ-UHFFFAOYSA-N
Compound name
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-3-prop-1-en-2-ylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

466.27325 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.280526 218.8
[M+Na]+ 489.262468 222.9
[M-H]- 465.265974 225.6
[M+NH4]+ 484.307073 222.7
[M+K]+ 505.236408 213.5
[M+H-H2O]+ 449.270510 204.2
[M+HCOO]- 511.271451 230.3
[M+CH3COO]- 525.287101 224.0
[M+Na-2H]- 487.247916 215.4
[M]+ 466.27270142 216.3
[M]- 466.27379858 216.3
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

patents stripe