CID 3050565

66691-66-5

Structural Information

Molecular Formula
C26H31N
SMILES
CC12CC3(CN(CC3C4=CC=CC=C41)CC5CCCCC5)C6=CC=CC=C26
InChI
InChI=1S/C26H31N/c1-25-17-26(23-14-8-7-13-22(23)25)18-27(15-19-9-3-2-4-10-19)16-24(26)20-11-5-6-12-21(20)25/h5-8,11-14,19,24H,2-4,9-10,15-18H2,1H3
InChIKey
OPZUQIXSGOFFAS-UHFFFAOYSA-N
Compound name
3-(cyclohexylmethyl)-12-methyl-3-azapentacyclo[10.6.1.01,5.06,11.013,18]nonadeca-6,8,10,13,15,17-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.24564 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.25292 195.1
[M+Na]+ 380.23486 200.4
[M-H]- 356.23836 203.4
[M+NH4]+ 375.27946 215.9
[M+K]+ 396.20880 192.2
[M+H-H2O]+ 340.24290 185.6
[M+HCOO]- 402.24384 206.5
[M+CH3COO]- 416.25949 203.1
[M+Na-2H]- 378.22031 193.7
[M]+ 357.24509 188.0
[M]- 357.24619 188.0
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.