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]+ 309.159746 173.3
[M+Na]+ 331.141688 182.0
[M-H]- 307.145194 177.5
[M+NH4]+ 326.186293 194.3
[M+K]+ 347.115628 176.1
[M+H-H2O]+ 291.149730 167.3
[M+HCOO]- 353.150671 188.5
[M+CH3COO]- 367.166321 184.1
[M+Na-2H]- 329.127136 172.2
[M]+ 308.15192142 173.7
[M]- 308.15301858 173.7
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.