CID 3027857

Niosh/eu2366000

Structural Information

Molecular Formula
C27H29NO
SMILES
C1CCN(CC1)CCC(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C27H29NO/c29-26(23-13-5-1-6-14-23)27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)19-22-28-20-11-4-12-21-28/h1-3,5-10,13-18H,4,11-12,19-22H2
InChIKey
MVIZFXCTFZFBQI-UHFFFAOYSA-N
Compound name
1,2,2-triphenyl-4-piperidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.2249 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.23218 196.1
[M+Na]+ 406.21412 196.4
[M-H]- 382.21762 204.4
[M+NH4]+ 401.25872 203.9
[M+K]+ 422.18806 189.6
[M+H-H2O]+ 366.22216 183.8
[M+HCOO]- 428.22310 210.3
[M+CH3COO]- 442.23875 202.6
[M+Na-2H]- 404.19957 198.3
[M]+ 383.22435 189.4
[M]- 383.22545 189.4
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.