CID 13059329

23941-45-9

Structural Information

Molecular Formula
C21H25N
SMILES
CN(C)CCCC12CCC(C3=CC=CC=C31)C4=CC=CC=C24
InChI
InChI=1S/C21H25N/c1-22(2)15-7-13-21-14-12-16(17-8-3-5-10-19(17)21)18-9-4-6-11-20(18)21/h3-6,8-11,16H,7,12-15H2,1-2H3
InChIKey
SNMOQECSGLZUQK-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.1987 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.20598 168.2
[M+Na]+ 314.18792 182.5
[M+NH4]+ 309.23252 182.2
[M+K]+ 330.16186 169.8
[M-H]- 290.19142 172.8
[M+Na-2H]- 312.17337 173.3
[M]+ 291.19815 172.1
[M]- 291.19925 172.1
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

patents stripe