CID 288764

Nsc150103

Structural Information

Molecular Formula

C₂₂H₁₉NO₂

SMILES

C1CCC2(C1)CC3=C(C4=CC=CC=C4N=C3C5=CC=CC=C25)C(=O)O

InChI

InChI=1S/C22H19NO2/c24-21(25)19-15-8-2-4-10-18(15)23-20-14-7-1-3-9-17(14)22(13-16(19)20)11-5-6-12-22/h1-4,7-10H,5-6,11-13H2,(H,24,25)

InChIKey

HIAJBTUOUSDOPS-UHFFFAOYSA-N

Compound name

spiro[6H-benzo[c]acridine-5,1'-cyclopentane]-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 329.14157 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]+	330.148846	178.6
[M+Na]+	352.130788	186.3
[M-H]-	328.134294	183.9
[M+NH4]+	347.175393	197.0
[M+K]+	368.104728	179.0
[M+H-H2O]+	312.138830	169.3
[M+HCOO]-	374.139771	192.3
[M+CH3COO]-	388.155421	188.3
[M+Na-2H]-	350.116236	182.6
[M]+	329.14102142	175.2
[M]-	329.14211858	175.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.