CID 371258

Sanguilutine pseudobase

Structural Information

Molecular Formula

C₂₃H₂₃NO₆

SMILES

CN1C2=C(C=CC3=CC(=C(C=C32)OC)OC)C4=C(C1=O)C(=C(C=C4OC)OC)OC

InChI

InChI=1S/C23H23NO6/c1-24-21-13(8-7-12-9-15(26-2)16(27-3)10-14(12)21)19-17(28-4)11-18(29-5)22(30-6)20(19)23(24)25/h7-11H,1-6H3

InChIKey

MPXWNNCONPUOGM-UHFFFAOYSA-N

Compound name

2,3,7,8,10-pentamethoxy-5-methylbenzo[c]phenanthridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 409.15253 Da
Monoisotopic Mass: 3.8
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]+	410.159806	198.0
[M+Na]+	432.141748	210.7
[M-H]-	408.145254	204.5
[M+NH4]+	427.186353	211.2
[M+K]+	448.115688	207.6
[M+H-H2O]+	392.149790	187.7
[M+HCOO]-	454.150731	217.2
[M+CH3COO]-	468.166381	231.7
[M+Na-2H]-	430.127196	202.4
[M]+	409.15198142	211.5
[M]-	409.15307858	211.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe