CID 500500

6,11-dihydroxy-3,3-dimethyl-5-pentyl-12h-pyrano[2,3-c]acridin-7-one

Structural Information

Molecular Formula
C23H25NO4
SMILES
CCCCCC1=C2C(=C3C(=C1O)C(=O)C4=C(N3)C(=CC=C4)O)C=CC(O2)(C)C
InChI
InChI=1S/C23H25NO4/c1-4-5-6-8-15-21(27)17-19(14-11-12-23(2,3)28-22(14)15)24-18-13(20(17)26)9-7-10-16(18)25/h7,9-12,25,27H,4-6,8H2,1-3H3,(H,24,26)
InChIKey
RCMSUPRIGPFFIL-UHFFFAOYSA-N
Compound name
6,11-dihydroxy-3,3-dimethyl-5-pentyl-12H-pyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.17834 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.18562 193.4
[M+Na]+ 402.16756 204.5
[M-H]- 378.17106 196.1
[M+NH4]+ 397.21216 206.6
[M+K]+ 418.14150 198.5
[M+H-H2O]+ 362.17560 184.6
[M+HCOO]- 424.17654 206.0
[M+CH3COO]- 438.19219 202.8
[M+Na-2H]- 400.15301 198.6
[M]+ 379.17779 198.0
[M]- 379.17889 198.0
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

No patent data available for this compound.