CID 371237

Nsc645295

Structural Information

Molecular Formula

C₂₃H₂₃NO₄

SMILES

CC(C)OC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC)OC)OC

InChI

InChI=1S/C23H23NO4/c1-13(2)28-22-8-14-6-7-16-17-10-20(26-4)19(25-3)9-15(17)12-24-23(16)18(14)11-21(22)27-5/h6-13H,1-5H3

InChIKey

LYAZTRXRYGYSKZ-UHFFFAOYSA-N

Compound name

3,8,9-trimethoxy-2-propan-2-yloxybenzo[c]phenanthridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 377.16272 Da
Monoisotopic Mass: 5.4
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]+	378.169996	192.1
[M+Na]+	400.151938	202.3
[M-H]-	376.155444	197.6
[M+NH4]+	395.196543	206.1
[M+K]+	416.125878	198.3
[M+H-H2O]+	360.159980	181.9
[M+HCOO]-	422.160921	210.2
[M+CH3COO]-	436.176571	224.7
[M+Na-2H]-	398.137386	197.3
[M]+	377.16217142	201.6
[M]-	377.16326858	201.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.