CID 199351

1-propanol, 3-benzylmethylamino-1,1-diphenyl-2-methyl-, oxalate, hydrate

Structural Information

Molecular Formula
C24H27NO
SMILES
CC(CN(C)CC1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C24H27NO/c1-20(18-25(2)19-21-12-6-3-7-13-21)24(26,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,20,26H,18-19H2,1-2H3
InChIKey
AVFXTXYVJXSIOS-UHFFFAOYSA-N
Compound name
3-[benzyl(methyl)amino]-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.20926 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.216536 186.0
[M+Na]+ 368.198478 188.2
[M-H]- 344.201984 194.2
[M+NH4]+ 363.243083 197.5
[M+K]+ 384.172418 183.5
[M+H-H2O]+ 328.206520 176.2
[M+HCOO]- 390.207461 205.7
[M+CH3COO]- 404.223111 216.8
[M+Na-2H]- 366.183926 189.9
[M]+ 345.20871142 184.6
[M]- 345.20980858 184.6
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.