CID 5317838

Gravacridonolchlorine

Structural Information

Molecular Formula
C19H18ClNO5
SMILES
CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC(C4)C(CO)(CO)Cl
InChI
InChI=1S/C19H18ClNO5/c1-21-12-5-3-2-4-10(12)18(25)16-13(24)7-14-11(17(16)21)6-15(26-14)19(20,8-22)9-23/h2-5,7,15,22-24H,6,8-9H2,1H3
InChIKey
OYGSTYGNRLPAMK-UHFFFAOYSA-N
Compound name
2-(2-chloro-1,3-dihydroxypropan-2-yl)-5-hydroxy-11-methyl-1,2-dihydrofuro[2,3-c]acridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

375.08734 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.09462 185.3
[M+Na]+ 398.07656 196.9
[M-H]- 374.08006 188.4
[M+NH4]+ 393.12116 199.3
[M+K]+ 414.05050 191.4
[M+H-H2O]+ 358.08460 180.0
[M+HCOO]- 420.08554 194.4
[M+CH3COO]- 434.10119 195.7
[M+Na-2H]- 396.06201 190.5
[M]+ 375.08679 192.1
[M]- 375.08789 192.1
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

patents stripe