CID 68858

Maroxepin

Structural Information

Molecular Formula
C19H19NO
SMILES
CN1CCC2=C(CC1)C3=CC=CC=C3OC4=CC=CC=C24
InChI
InChI=1S/C19H19NO/c1-20-12-10-14-15(11-13-20)17-7-3-5-9-19(17)21-18-8-4-2-6-16(14)18/h2-9H,10-13H2,1H3
InChIKey
RLYFYCIACXEKPZ-UHFFFAOYSA-N
Compound name
18-methyl-8-oxa-18-azatetracyclo[13.5.0.02,7.09,14]icosa-1(15),2,4,6,9,11,13-heptaene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

44
Patents

277.14667 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.153946 166.7
[M+Na]+ 300.135888 175.8
[M-H]- 276.139394 174.8
[M+NH4]+ 295.180493 181.2
[M+K]+ 316.109828 174.4
[M+H-H2O]+ 260.143930 163.7
[M+HCOO]- 322.144871 181.1
[M+CH3COO]- 336.160521 176.8
[M+Na-2H]- 298.121336 173.2
[M]+ 277.14612142 162.8
[M]- 277.14721858 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe