CID 68183

Anilinephthalein

Structural Information

Molecular Formula
C20H16N2O2
SMILES
C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)N)C4=CC=C(C=C4)N
InChI
InChI=1S/C20H16N2O2/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12H,21-22H2
InChIKey
PLYHMRQAXIKUIV-UHFFFAOYSA-N
Compound name
3,3-bis(4-aminophenyl)-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

70
Patents

316.1212 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.12848 173.7
[M+Na]+ 339.11042 182.9
[M-H]- 315.11392 185.1
[M+NH4]+ 334.15502 190.5
[M+K]+ 355.08436 177.8
[M+H-H2O]+ 299.11846 165.5
[M+HCOO]- 361.11940 197.0
[M+CH3COO]- 375.13505 185.8
[M+Na-2H]- 337.09587 178.2
[M]+ 316.12065 172.0
[M]- 316.12175 172.0
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