CID 49557

Brn 1351044

Structural Information

Molecular Formula
C24H29N
SMILES
CC1CCCCN1CCC=C2C3=CC=CC=C3CCC4=CC=CC=C42
InChI
InChI=1S/C24H29N/c1-19-9-6-7-17-25(19)18-8-14-24-22-12-4-2-10-20(22)15-16-21-11-3-5-13-23(21)24/h2-5,10-14,19H,6-9,15-18H2,1H3
InChIKey
RNPXQJMNCLSLHT-UHFFFAOYSA-N
Compound name
2-methyl-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

331.23 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.23728 183.3
[M+Na]+ 354.21922 186.6
[M-H]- 330.22272 189.4
[M+NH4]+ 349.26382 196.7
[M+K]+ 370.19316 182.7
[M+H-H2O]+ 314.22726 175.1
[M+HCOO]- 376.22820 196.6
[M+CH3COO]- 390.24385 191.3
[M+Na-2H]- 352.20467 185.2
[M]+ 331.22945 175.4
[M]- 331.23055 175.4
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.