CID 108891

Carbazine 720

Structural Information

Molecular Formula
C22H19NO3
SMILES
CC1=C(C2(C(=C(C1=O)C)C)C3=CC(=O)C=CC3=NC4=C2C=C(C=C4)O)C
InChI
InChI=1S/C22H19NO3/c1-11-13(3)22(14(4)12(2)21(11)26)17-9-15(24)5-7-19(17)23-20-8-6-16(25)10-18(20)22/h5-10,24H,1-4H3
InChIKey
OOBOPFKBJZPFHL-UHFFFAOYSA-N
Compound name
7-hydroxy-2',3',5',6'-tetramethylspiro[acridine-9,4'-cyclohexa-2,5-diene]-1',2-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

345.1365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.14378 183.0
[M+Na]+ 368.12572 200.4
[M+NH4]+ 363.17032 192.9
[M+K]+ 384.09966 189.7
[M-H]- 344.12922 187.6
[M+Na-2H]- 366.11117 190.0
[M]+ 345.13595 187.2
[M]- 345.13705 187.2
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

patents stripe