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]+ 276.174676 170.3
[M+Na]+ 298.156618 179.7
[M-H]- 274.160124 177.7
[M+NH4]+ 293.201223 195.3
[M+K]+ 314.130558 173.1
[M+H-H2O]+ 258.164660 163.3
[M+HCOO]- 320.165601 186.7
[M+CH3COO]- 334.181251 181.8
[M+Na-2H]- 296.142066 173.7
[M]+ 275.16685142 168.2
[M]- 275.16794858 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.