CID 83119

2,2-bis[4-(4-aminophenoxy)phenyl]propane

Structural Information

Molecular Formula
C27H26N2O2
SMILES
CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N)C3=CC=C(C=C3)OC4=CC=C(C=C4)N
InChI
InChI=1S/C27H26N2O2/c1-27(2,19-3-11-23(12-4-19)30-25-15-7-21(28)8-16-25)20-5-13-24(14-6-20)31-26-17-9-22(29)10-18-26/h3-18H,28-29H2,1-2H3
InChIKey
KMKWGXGSGPYISJ-UHFFFAOYSA-N
Compound name
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

25650
Patents

410.19943 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.20671 202.7
[M+Na]+ 433.18865 208.0
[M-H]- 409.19215 214.1
[M+NH4]+ 428.23325 211.2
[M+K]+ 449.16259 201.7
[M+H-H2O]+ 393.19669 191.3
[M+HCOO]- 455.19763 224.2
[M+CH3COO]- 469.21328 211.4
[M+Na-2H]- 431.17410 205.5
[M]+ 410.19888 201.2
[M]- 410.19998 201.2
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