CID 476485

Hydroxidine

Structural Information

Molecular Formula

C₂₂H₂₂NO₅

SMILES

C[N+]1=CC2=CC(=C(C=C2C3=CC(=C4C=C(C(=CC4=C31)OC)OC)O)OC)OC

InChI

InChI=1S/C22H21NO5/c1-23-11-12-6-18(25-2)19(26-3)8-13(12)15-7-17(24)14-9-20(27-4)21(28-5)10-16(14)22(15)23/h6-11H,1-5H3/p+1

InChIKey

HVLZAPDZETUQGU-UHFFFAOYSA-O

Compound name

2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium-12-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 32
Patents: 380.1498 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	381.15708	194.6
[M+Na]+	403.13902	206.1
[M-H]-	379.14252	200.0
[M+NH4]+	398.18362	208.0
[M+K]+	419.11296	196.6
[M+H-H2O]+	363.14706	187.5
[M+HCOO]-	425.14800	212.2
[M+CH3COO]-	439.16365	216.6
[M+Na-2H]-	401.12447	202.1
[M]+	380.14925	203.7
[M]-	380.15035	203.7

Literature stripe

literature stripe

Patent stripe

patents stripe