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
1
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]+ 278.15395 166.7
[M+Na]+ 300.13589 175.8
[M-H]- 276.13939 174.8
[M+NH4]+ 295.18049 181.2
[M+K]+ 316.10983 174.4
[M+H-H2O]+ 260.14393 163.7
[M+HCOO]- 322.14487 181.1
[M+CH3COO]- 336.16052 176.8
[M+Na-2H]- 298.12134 173.2
[M]+ 277.14612 162.8
[M]- 277.14722 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.