CID 203575

14692-53-6

Structural Information

Molecular Formula
C23H29N
SMILES
CCN(CC)CCCC1CC2C3=CC=CC=C3C1C4=CC=CC=C24
InChI
InChI=1S/C23H29N/c1-3-24(4-2)15-9-10-17-16-22-18-11-5-7-13-20(18)23(17)21-14-8-6-12-19(21)22/h5-8,11-14,17,22-23H,3-4,9-10,15-16H2,1-2H3
InChIKey
SAQIIKRJZFZYAG-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(15-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

0
Patents

319.23 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.23728 178.4
[M+Na]+ 342.21922 180.7
[M-H]- 318.22272 180.6
[M+NH4]+ 337.26382 197.5
[M+K]+ 358.19316 175.5
[M+H-H2O]+ 302.22726 168.8
[M+HCOO]- 364.22820 191.1
[M+CH3COO]- 378.24385 186.7
[M+Na-2H]- 340.20467 185.2
[M]+ 319.22945 181.4
[M]- 319.23055 181.4
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.