CID 390243

Nsc687535

Structural Information

Molecular Formula
C23H23NO
SMILES
C1COC1CNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H23NO/c1-4-10-19(11-5-1)23(20-12-6-2-7-13-20,21-14-8-3-9-15-21)24-18-22-16-17-25-22/h1-15,22,24H,16-18H2
InChIKey
BUTSHKRIRGZUNO-UHFFFAOYSA-N
Compound name
N-(oxetan-2-ylmethyl)-1,1,1-triphenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.17798 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18526 172.3
[M+Na]+ 352.16720 174.8
[M-H]- 328.17070 183.6
[M+NH4]+ 347.21180 177.1
[M+K]+ 368.14114 173.8
[M+H-H2O]+ 312.17524 157.0
[M+HCOO]- 374.17618 191.9
[M+CH3COO]- 388.19183 181.9
[M+Na-2H]- 350.15265 179.7
[M]+ 329.17743 178.1
[M]- 329.17853 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.