CID 3063566

101077-40-1

Structural Information

Molecular Formula
C20H14N2O2
SMILES
C1C=CN2CC3=C(C4=CC=CC=C4N=C3C5=CC=CC1=C52)C(=O)O
InChI
InChI=1S/C20H14N2O2/c23-20(24)17-13-7-1-2-9-16(13)21-18-14-8-3-5-12-6-4-10-22(19(12)14)11-15(17)18/h1-5,7-10H,6,11H2,(H,23,24)
InChIKey
DYUYBNKWDQSFAP-UHFFFAOYSA-N
Compound name
3,13-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,14,17(21),18-nonaene-10-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.10553 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11281 173.2
[M+Na]+ 337.09475 190.2
[M+NH4]+ 332.13935 183.1
[M+K]+ 353.06869 180.8
[M-H]- 313.09825 177.0
[M+Na-2H]- 335.08020 178.6
[M]+ 314.10498 177.0
[M]- 314.10608 177.0
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.