CID 14993

Trifenmorph

Structural Information

Molecular Formula
C23H23NO
SMILES
C1COCCN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H23NO/c1-4-10-20(11-5-1)23(21-12-6-2-7-13-21,22-14-8-3-9-15-22)24-16-18-25-19-17-24/h1-15H,16-19H2
InChIKey
ZJMLMBICUVVJDX-UHFFFAOYSA-N
Compound name
4-tritylmorpholine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

15
References

3103
Patents

329.17798 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18526 179.5
[M+Na]+ 352.16720 182.1
[M-H]- 328.17070 189.2
[M+NH4]+ 347.21180 188.6
[M+K]+ 368.14114 177.2
[M+H-H2O]+ 312.17524 168.0
[M+HCOO]- 374.17618 195.1
[M+CH3COO]- 388.19183 188.1
[M+Na-2H]- 350.15265 185.6
[M]+ 329.17743 173.5
[M]- 329.17853 173.5
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