CID 3063305

2-benzimidazolinone, 1-allyl-3-(1-(3,3-diphenyl-4-oxohexyl)-4-piperidyl)-

Structural Information

Molecular Formula
C33H37N3O2
SMILES
CCC(=O)C(CCN1CCC(CC1)N2C3=CC=CC=C3N(C2=O)CC=C)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C33H37N3O2/c1-3-22-35-29-17-11-12-18-30(29)36(32(35)38)28-19-23-34(24-20-28)25-21-33(31(37)4-2,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h3,5-18,28H,1,4,19-25H2,2H3
InChIKey
AVWSMSULFQTBPH-UHFFFAOYSA-N
Compound name
1-[1-(4-oxo-3,3-diphenylhexyl)piperidin-4-yl]-3-prop-2-enylbenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.28857 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.29585 230.9
[M+Na]+ 530.27779 234.3
[M-H]- 506.28129 238.8
[M+NH4]+ 525.32239 234.4
[M+K]+ 546.25173 225.1
[M+H-H2O]+ 490.28583 216.9
[M+HCOO]- 552.28677 242.3
[M+CH3COO]- 566.30242 235.7
[M+Na-2H]- 528.26324 228.1
[M]+ 507.28802 229.5
[M]- 507.28912 229.5
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.