CID 614765

Sunset orange carbinol

Structural Information

Molecular Formula
C21H21NO
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H21NO/c1-22(2)20-15-13-19(14-16-20)21(23,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-16,23H,1-2H3
InChIKey
RINGMELOOTUDIA-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)phenyl]-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

303.16232 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16960 172.6
[M+Na]+ 326.15154 177.6
[M-H]- 302.15504 181.9
[M+NH4]+ 321.19614 186.4
[M+K]+ 342.12548 173.0
[M+H-H2O]+ 286.15958 163.6
[M+HCOO]- 348.16052 194.5
[M+CH3COO]- 362.17617 208.2
[M+Na-2H]- 324.13699 178.6
[M]+ 303.16177 171.4
[M]- 303.16287 171.4
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