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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 178.5
[M+Na]+ 361.18865 190.4
[M-H]- 337.19215 184.5
[M+NH4]+ 356.23325 203.1
[M+K]+ 377.16259 183.1
[M+H-H2O]+ 321.19669 174.8
[M+HCOO]- 383.19763 196.6
[M+CH3COO]- 397.21328 190.2
[M+Na-2H]- 359.17410 180.1
[M]+ 338.19888 177.6
[M]- 338.19998 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe