CID 11759047

1h-perylo(3,4-cd)pyridine-1,3(2h)-dione

Structural Information

Molecular Formula
C22H11NO2
SMILES
C1=CC2=C3C(=C1)C4=C5C(=CC=C6C5=C(C=C4)C(=O)NC6=O)C3=CC=C2
InChI
InChI=1S/C22H11NO2/c24-21-16-9-7-14-12-5-1-3-11-4-2-6-13(18(11)12)15-8-10-17(22(25)23-21)20(16)19(14)15/h1-10H,(H,23,24,25)
InChIKey
LBOJSACZVLWUHN-UHFFFAOYSA-N
Compound name
16-azahexacyclo[12.6.2.12,6.011,21.018,22.010,23]tricosa-1(21),2,4,6(23),7,9,11,13,18(22),19-decaene-15,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

403
Patents

321.07898 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08626 172.1
[M+Na]+ 344.06820 183.1
[M-H]- 320.07170 176.1
[M+NH4]+ 339.11280 189.4
[M+K]+ 360.04214 175.0
[M+H-H2O]+ 304.07624 161.3
[M+HCOO]- 366.07718 186.3
[M+CH3COO]- 380.09283 182.6
[M+Na-2H]- 342.05365 183.0
[M]+ 321.07843 175.5
[M]- 321.07953 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe