CID 216024

37013-32-4

Structural Information

Molecular Formula
C21H29NO3
SMILES
CCC(C1=CC=C(C=C1)OC)(C(CN(C)C)C2=CC=C(C=C2)OC)O
InChI
InChI=1S/C21H29NO3/c1-6-21(23,17-9-13-19(25-5)14-10-17)20(15-22(2)3)16-7-11-18(24-4)12-8-16/h7-14,20,23H,6,15H2,1-5H3
InChIKey
LZRZANBTZXCRBN-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-2,3-bis(4-methoxyphenyl)pentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.21475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.22203 185.3
[M+Na]+ 366.20397 189.4
[M-H]- 342.20747 191.4
[M+NH4]+ 361.24857 198.2
[M+K]+ 382.17791 187.3
[M+H-H2O]+ 326.21201 176.8
[M+HCOO]- 388.21295 205.3
[M+CH3COO]- 402.22860 218.4
[M+Na-2H]- 364.18942 187.1
[M]+ 343.21420 189.5
[M]- 343.21530 189.5
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.