CID 5465765

Nsc660817

Structural Information

Molecular Formula
C21H19NO3
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC5(CCCC5)C=C4
InChI
InChI=1S/C21H19NO3/c1-22-15-7-3-2-6-13(15)20(24)18-16(23)12-17-14(19(18)22)8-11-21(25-17)9-4-5-10-21/h2-3,6-8,11-12,23H,4-5,9-10H2,1H3
InChIKey
JIMTTZYAJQGBRG-UHFFFAOYSA-N
Compound name
6'-hydroxy-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

333.1365 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.14378 177.0
[M+Na]+ 356.12572 188.4
[M-H]- 332.12922 184.4
[M+NH4]+ 351.17032 194.9
[M+K]+ 372.09966 182.5
[M+H-H2O]+ 316.13376 168.2
[M+HCOO]- 378.13470 192.7
[M+CH3COO]- 392.15035 188.5
[M+Na-2H]- 354.11117 182.8
[M]+ 333.13595 178.3
[M]- 333.13705 178.3
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.