CID 199374

Brn 2818017

Structural Information

Molecular Formula
C24H33NO
SMILES
CC(CN(C)C1CCCCCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C24H33NO/c1-20(19-25(2)23-17-11-3-4-12-18-23)24(26,21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,13-16,20,23,26H,3-4,11-12,17-19H2,1-2H3
InChIKey
OXTQHELIHQKFDF-UHFFFAOYSA-N
Compound name
3-[cycloheptyl(methyl)amino]-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.25623 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.26351 186.5
[M+Na]+ 374.24545 184.8
[M-H]- 350.24895 194.6
[M+NH4]+ 369.29005 197.0
[M+K]+ 390.21939 185.7
[M+H-H2O]+ 334.25349 178.8
[M+HCOO]- 396.25443 201.7
[M+CH3COO]- 410.27008 217.4
[M+Na-2H]- 372.23090 187.2
[M]+ 351.25568 178.3
[M]- 351.25678 178.3
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.