CID 3057234

73986-98-8

Structural Information

Molecular Formula
C26H27N
SMILES
CC(CC1=CC=CC=C1)NCC2CC3C4=CC=CC=C4C2C5=CC=CC=C35
InChI
InChI=1S/C26H27N/c1-18(15-19-9-3-2-4-10-19)27-17-20-16-25-21-11-5-7-13-23(21)26(20)24-14-8-6-12-22(24)25/h2-14,18,20,25-27H,15-17H2,1H3
InChIKey
KUGANCKDUNPPSL-UHFFFAOYSA-N
Compound name
1-phenyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.21436 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.22164 182.1
[M+Na]+ 376.20358 183.9
[M-H]- 352.20708 185.9
[M+NH4]+ 371.24818 198.4
[M+K]+ 392.17752 177.0
[M+H-H2O]+ 336.21162 171.3
[M+HCOO]- 398.21256 193.7
[M+CH3COO]- 412.22821 189.5
[M+Na-2H]- 374.18903 189.5
[M]+ 353.21381 181.7
[M]- 353.21491 181.7
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.