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]+ 332.112876 172.9
[M+Na]+ 354.094818 186.0
[M-H]- 330.098324 176.6
[M+NH4]+ 349.139423 187.5
[M+K]+ 370.068758 182.7
[M+H-H2O]+ 314.102860 165.3
[M+HCOO]- 376.103801 192.2
[M+CH3COO]- 390.119451 210.4
[M+Na-2H]- 352.080266 177.8
[M]+ 331.10505142 182.4
[M]- 331.10614858 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

literature stripe

Patent stripe

patents stripe