CID 203701

Piperidine, 1-(3-(10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-ylidene)propyl)-4-phenyl-, hydrochloride, hydrate (2:2:1)

Structural Information

Molecular Formula
C29H31N
SMILES
C1CN(CCC1C2=CC=CC=C2)CCC=C3C4=CC=CC=C4CCC5=CC=CC=C53
InChI
InChI=1S/C29H31N/c1-2-9-23(10-3-1)24-18-21-30(22-19-24)20-8-15-29-27-13-6-4-11-25(27)16-17-26-12-5-7-14-28(26)29/h1-7,9-15,24H,8,16-22H2
InChIKey
CEYFZNSSVBHUEB-UHFFFAOYSA-N
Compound name
4-phenyl-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.24564 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.25292 202.4
[M+Na]+ 416.23486 205.0
[M-H]- 392.23836 210.7
[M+NH4]+ 411.27946 212.5
[M+K]+ 432.20880 199.5
[M+H-H2O]+ 376.24290 192.6
[M+HCOO]- 438.24384 215.0
[M+CH3COO]- 452.25949 208.8
[M+Na-2H]- 414.22031 203.4
[M]+ 393.24509 193.2
[M]- 393.24619 193.2
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.