CID 5386516

Nsc613293

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CC1(C=NC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)C
InChI
InChI=1S/C18H16N2O3/c1-18(2)9-19-15-13(23-18)8-12(21)14-16(15)20(3)11-7-5-4-6-10(11)17(14)22/h4-9,21H,1-3H3
InChIKey
CGOCOPCTINDUOL-UHFFFAOYSA-N
Compound name
6-hydroxy-3,3,12-trimethyl-[1,4]oxazino[2,3-c]acridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1161 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 172.0
[M+Na]+ 331.10532 185.7
[M-H]- 307.10882 176.6
[M+NH4]+ 326.14992 188.0
[M+K]+ 347.07926 180.9
[M+H-H2O]+ 291.11336 162.5
[M+HCOO]- 353.11430 188.0
[M+CH3COO]- 367.12995 184.1
[M+Na-2H]- 329.09077 181.1
[M]+ 308.11555 177.1
[M]- 308.11665 177.1
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.