CID 3054002

Brn 2748696

Structural Information

Molecular Formula
C20H25NO
SMILES
CC(CNCC1CC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H25NO/c1-16(14-21-15-17-12-13-17)20(22,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,16-17,21-22H,12-15H2,1H3
InChIKey
CODSMHLEBIVYSI-UHFFFAOYSA-N
Compound name
3-(cyclopropylmethylamino)-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 163.5
[M+Na]+ 318.18282 168.3
[M-H]- 294.18632 171.4
[M+NH4]+ 313.22742 172.7
[M+K]+ 334.15676 163.5
[M+H-H2O]+ 278.19086 155.8
[M+HCOO]- 340.19180 184.2
[M+CH3COO]- 354.20745 206.4
[M+Na-2H]- 316.16827 169.1
[M]+ 295.19305 163.7
[M]- 295.19415 163.7
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.