CID 3050575

66749-04-0

Structural Information

Molecular Formula
C20H21N
SMILES
CC12CC3(CN(CC3C4=CC=CC=C41)C)C5=CC=CC=C25
InChI
InChI=1S/C20H21N/c1-19-12-20(17-10-6-5-9-16(17)19)13-21(2)11-18(20)14-7-3-4-8-15(14)19/h3-10,18H,11-13H2,1-2H3
InChIKey
NDXWTVDIMSSTDT-UHFFFAOYSA-N
Compound name
3,12-dimethyl-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

275.1674 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17468 170.3
[M+Na]+ 298.15662 179.7
[M-H]- 274.16012 177.7
[M+NH4]+ 293.20122 195.3
[M+K]+ 314.13056 173.1
[M+H-H2O]+ 258.16466 163.3
[M+HCOO]- 320.16560 186.7
[M+CH3COO]- 334.18125 181.8
[M+Na-2H]- 296.14207 173.7
[M]+ 275.16685 168.2
[M]- 275.16795 168.2
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.