CID 212583

24588-96-3

Structural Information

Molecular Formula
C21H29NO3
SMILES
CCCN(CCC)CC(COC1=CC=CC=C1OC2=CC=CC=C2)O
InChI
InChI=1S/C21H29NO3/c1-3-14-22(15-4-2)16-18(23)17-24-20-12-8-9-13-21(20)25-19-10-6-5-7-11-19/h5-13,18,23H,3-4,14-17H2,1-2H3
InChIKey
OPRKVKOPJMGXEI-UHFFFAOYSA-N
Compound name
1-(dipropylamino)-3-(2-phenoxyphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.21475 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.22203 186.3
[M+Na]+ 366.20397 188.9
[M-H]- 342.20747 191.6
[M+NH4]+ 361.24857 198.7
[M+K]+ 382.17791 186.1
[M+H-H2O]+ 326.21201 176.8
[M+HCOO]- 388.21295 207.8
[M+CH3COO]- 402.22860 216.7
[M+Na-2H]- 364.18942 187.7
[M]+ 343.21420 190.4
[M]- 343.21530 190.4
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.