CID 373182

Nsc649146

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CN1C2=CC=CC=C2C3=C1C4C(C=CCON4CC3)C(=O)OC
InChI
InChI=1S/C18H20N2O3/c1-19-15-8-4-3-6-12(15)13-9-10-20-17(16(13)19)14(18(21)22-2)7-5-11-23-20/h3-8,14,17H,9-11H2,1-2H3
InChIKey
WEMIBVKMTXTFDF-UHFFFAOYSA-N
Compound name
methyl 18-methyl-7-oxa-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),4,12,14,16-pentaene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1474 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 170.5
[M+Na]+ 335.13662 178.9
[M-H]- 311.14012 176.5
[M+NH4]+ 330.18122 185.7
[M+K]+ 351.11056 178.7
[M+H-H2O]+ 295.14466 163.5
[M+HCOO]- 357.14560 185.4
[M+CH3COO]- 371.16125 181.4
[M+Na-2H]- 333.12207 174.4
[M]+ 312.14685 170.7
[M]- 312.14795 170.7
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.