CID 5320199

Noracronycine

Structural Information

Molecular Formula
C19H17NO3
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)C
InChI
InChI=1S/C19H17NO3/c1-19(2)9-8-12-15(23-19)10-14(21)16-17(12)20(3)13-7-5-4-6-11(13)18(16)22/h4-10,21H,1-3H3
InChIKey
CBXBWBNEFPNSDO-UHFFFAOYSA-N
Compound name
6-hydroxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

14
Patents

307.12085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 170.7
[M+Na]+ 330.11007 184.0
[M-H]- 306.11357 176.6
[M+NH4]+ 325.15467 188.2
[M+K]+ 346.08401 179.3
[M+H-H2O]+ 290.11811 162.0
[M+HCOO]- 352.11905 187.8
[M+CH3COO]- 366.13470 183.2
[M+Na-2H]- 328.09552 179.5
[M]+ 307.12030 175.7
[M]- 307.12140 175.7
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

patents stripe