CID 14345938

95669-29-7

Structural Information

Molecular Formula
C19H20N2O2
SMILES
COC(=O)C1=CC2C(C1)CN3C2C4=C(CC3)C5=CC=CC=C5N4
InChI
InChI=1S/C19H20N2O2/c1-23-19(22)11-8-12-10-21-7-6-14-13-4-2-3-5-16(13)20-17(14)18(21)15(12)9-11/h2-5,9,12,15,18,20H,6-8,10H2,1H3
InChIKey
XFELWZCZFWLNLU-UHFFFAOYSA-N
Compound name
methyl 9,19-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),4,13,15,17-pentaene-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15247 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 172.0
[M+Na]+ 331.14169 183.1
[M+NH4]+ 326.18629 181.2
[M+K]+ 347.11563 181.7
[M-H]- 307.14519 173.5
[M+Na-2H]- 329.12714 172.7
[M]+ 308.15192 173.8
[M]- 308.15302 173.8
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.