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]+ 304.205976 174.9
[M+Na]+ 326.187918 178.3
[M-H]- 302.191424 183.1
[M+NH4]+ 321.232523 192.0
[M+K]+ 342.161858 174.4
[M+H-H2O]+ 286.195960 168.8
[M+HCOO]- 348.196901 193.3
[M+CH3COO]- 362.212551 184.4
[M+Na-2H]- 324.173366 177.2
[M]+ 303.19815142 167.2
[M]- 303.19924858 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.