CID 478346

Chembl1183570

Structural Information

Molecular Formula

C₂₁H₂₆N₂O₂

SMILES

CC1(CC2(CC(C3=CC(=C(C=C32)O)N)(C)C)C4=C1C=CC(=C4N)O)C

InChI

InChI=1S/C21H26N2O2/c1-19(2)9-21(17-11(19)5-6-15(24)18(17)23)10-20(3,4)12-7-14(22)16(25)8-13(12)21/h5-8,24-25H,9-10,22-23H2,1-4H3

InChIKey

QCGQCLFKQHHRBH-UHFFFAOYSA-N

Compound name

4,6'-diamino-1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-5,5'-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 338.19943 Da
Monoisotopic Mass: 4.5
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]+	339.206706	178.5
[M+Na]+	361.188648	190.4
[M-H]-	337.192154	184.5
[M+NH4]+	356.233253	203.1
[M+K]+	377.162588	183.1
[M+H-H2O]+	321.196690	174.8
[M+HCOO]-	383.197631	196.6
[M+CH3COO]-	397.213281	190.2
[M+Na-2H]-	359.174096	180.1
[M]+	338.19888142	177.6
[M]-	338.19997858	177.6

Literature stripe

literature stripe

Patent stripe

patents stripe