CID 19093029

Citibrasine

Structural Information

Molecular Formula
C17H17NO6
SMILES
CN1C2=C(C=CC=C2O)C(=O)C3=C1C(=C(C(=C3O)OC)OC)OC
InChI
InChI=1S/C17H17NO6/c1-18-11-8(6-5-7-9(11)19)13(20)10-12(18)15(22-2)17(24-4)16(23-3)14(10)21/h5-7,19,21H,1-4H3
InChIKey
QYPQTPVQPNLXHV-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-2,3,4-trimethoxy-10-methylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

331.1056 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.11288 172.9
[M+Na]+ 354.09482 186.0
[M-H]- 330.09832 176.6
[M+NH4]+ 349.13942 187.5
[M+K]+ 370.06876 182.7
[M+H-H2O]+ 314.10286 165.3
[M+HCOO]- 376.10380 192.2
[M+CH3COO]- 390.11945 210.4
[M+Na-2H]- 352.08027 177.8
[M]+ 331.10505 182.4
[M]- 331.10615 182.4
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.