CID 5465789

Nsc662132

Structural Information

Molecular Formula
C22H21NO3
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC5(CCCCC5)C=C4
InChI
InChI=1S/C22H21NO3/c1-23-16-8-4-3-7-14(16)21(25)19-17(24)13-18-15(20(19)23)9-12-22(26-18)10-5-2-6-11-22/h3-4,7-9,12-13,24H,2,5-6,10-11H2,1H3
InChIKey
FEICAOQEAFNNPO-UHFFFAOYSA-N
Compound name
6'-hydroxy-12'-methylspiro[cyclohexane-1,3'-pyrano[2,3-c]acridine]-7'-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.15213 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.15941 181.5
[M+Na]+ 370.14135 191.3
[M-H]- 346.14485 187.9
[M+NH4]+ 365.18595 196.5
[M+K]+ 386.11529 185.7
[M+H-H2O]+ 330.14939 170.6
[M+HCOO]- 392.15033 194.3
[M+CH3COO]- 406.16598 191.5
[M+Na-2H]- 368.12680 188.8
[M]+ 347.15158 180.6
[M]- 347.15268 180.6
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.