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 169.5
[M+Na]+ 314.18792 173.1
[M-H]- 290.19142 172.2
[M+NH4]+ 309.23252 191.5
[M+K]+ 330.16186 168.2
[M+H-H2O]+ 274.19596 159.8
[M+HCOO]- 336.19690 183.0
[M+CH3COO]- 350.21255 178.9
[M+Na-2H]- 312.17337 178.9
[M]+ 291.19815 171.9
[M]- 291.19925 171.9
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