CID 378400

Nsc660818

Structural Information

Molecular Formula
C22H21NO3
SMILES
CN1C2=CC=CC=C2C(=O)C3=C(C=C4C(=C31)C=CC5(O4)CCCC5)OC
InChI
InChI=1S/C22H21NO3/c1-23-16-8-4-3-7-14(16)21(24)19-18(25-2)13-17-15(20(19)23)9-12-22(26-17)10-5-6-11-22/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3
InChIKey
NRJWDDAENVKOIA-UHFFFAOYSA-N
Compound name
6'-methoxy-12'-methylspiro[cyclopentane-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

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.15941 181.8
[M+Na]+ 370.14135 193.1
[M-H]- 346.14485 190.2
[M+NH4]+ 365.18595 199.7
[M+K]+ 386.11529 187.8
[M+H-H2O]+ 330.14939 172.3
[M+HCOO]- 392.15033 198.5
[M+CH3COO]- 406.16598 193.4
[M+Na-2H]- 368.12680 187.3
[M]+ 347.15158 184.9
[M]- 347.15268 184.9
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.