CID 120814

Ys 3623

Structural Information

Molecular Formula
C21H29NO3
SMILES
CC(C)NC(C)CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O
InChI
InChI=1S/C21H29NO3/c1-15(2)22-16(3)14-21(23,17-9-7-6-8-10-17)19-13-18(24-4)11-12-20(19)25-5/h6-13,15-16,22-23H,14H2,1-5H3
InChIKey
ROIZBCBFFOOJMP-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-1-phenyl-3-(propan-2-ylamino)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.21475 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.22203 185.8
[M+Na]+ 366.20397 196.7
[M+NH4]+ 361.24857 192.2
[M+K]+ 382.17791 190.9
[M-H]- 342.20747 189.0
[M+Na-2H]- 364.18942 192.2
[M]+ 343.21420 188.2
[M]- 343.21530 188.2
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.