CID 56841419

Ethyl 12-oxo-12h-phthaloperinecarboxylate

Structural Information

Molecular Formula
C21H14N2O3
SMILES
CCOC(=O)C1=C2C3=C(C=CC=C3N=C4N2C(=O)C5=CC=CC=C54)C=C1
InChI
InChI=1S/C21H14N2O3/c1-2-26-21(25)15-11-10-12-6-5-9-16-17(12)18(15)23-19(22-16)13-7-3-4-8-14(13)20(23)24/h3-11H,2H2,1H3
InChIKey
FCSWDHQIQLCTDU-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-2,11-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),4,6,8,10,12,14,16(20),17-nonaene-19-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.10043 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.107706 179.9
[M+Na]+ 365.089648 190.0
[M-H]- 341.093154 184.2
[M+NH4]+ 360.134253 196.5
[M+K]+ 381.063588 183.8
[M+H-H2O]+ 325.097690 170.4
[M+HCOO]- 387.098631 195.5
[M+CH3COO]- 401.114281 190.5
[M+Na-2H]- 363.075096 185.1
[M]+ 342.09988142 184.6
[M]- 342.10097858 184.6
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.