CID 20509370

85650-58-4

Structural Information

Molecular Formula
C18H21NO
SMILES
CC1=CC2=C(C=C1)OC3=CC=CC=C3CCN(CC2)C
InChI
InChI=1S/C18H21NO/c1-14-7-8-18-16(13-14)10-12-19(2)11-9-15-5-3-4-6-17(15)20-18/h3-8,13H,9-12H2,1-2H3
InChIKey
GKYPSKJSFBIHKY-UHFFFAOYSA-N
Compound name
6,11-dimethyl-2-oxa-11-azatricyclo[12.4.0.03,8]octadeca-1(18),3(8),4,6,14,16-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

267.16232 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.169596 160.8
[M+Na]+ 290.151538 168.2
[M-H]- 266.155044 162.5
[M+NH4]+ 285.196143 174.3
[M+K]+ 306.125478 165.6
[M+H-H2O]+ 250.159580 155.8
[M+HCOO]- 312.160521 176.6
[M+CH3COO]- 326.176171 171.2
[M+Na-2H]- 288.136986 166.5
[M]+ 267.16177142 157.3
[M]- 267.16286858 157.3
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

patents stripe