CID 3046630

62469-26-5

Structural Information

Molecular Formula
C22H25N
SMILES
C1CCC(C1)NCC=C2C3=CC=CC=C3CCC4=CC=CC=C42
InChI
InChI=1S/C22H25N/c1-5-11-20-17(7-1)13-14-18-8-2-6-12-21(18)22(20)15-16-23-19-9-3-4-10-19/h1-2,5-8,11-12,15,19,23H,3-4,9-10,13-14,16H2
InChIKey
ATWPXJSJQJZCDB-UHFFFAOYSA-N
Compound name
N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1987 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.20598 174.9
[M+Na]+ 326.18792 178.3
[M-H]- 302.19142 183.1
[M+NH4]+ 321.23252 192.0
[M+K]+ 342.16186 174.4
[M+H-H2O]+ 286.19596 168.8
[M+HCOO]- 348.19690 193.3
[M+CH3COO]- 362.21255 184.4
[M+Na-2H]- 324.17337 177.2
[M]+ 303.19815 167.2
[M]- 303.19925 167.2
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.