CID 3047502

Sl-d.311

Structural Information

Molecular Formula
C18H29NO3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)OCCCC2CC2)O
InChI
InChI=1S/C18H29NO3/c1-14(2)19-12-16(20)13-22-18-9-7-17(8-10-18)21-11-3-4-15-5-6-15/h7-10,14-16,19-20H,3-6,11-13H2,1-2H3
InChIKey
GYJXNKHOFIHFEE-UHFFFAOYSA-N
Compound name
1-[4-(3-cyclopropylpropoxy)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

307.21475 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 170.6
[M+Na]+ 330.20397 175.1
[M-H]- 306.20747 175.6
[M+NH4]+ 325.24857 179.8
[M+K]+ 346.17791 171.4
[M+H-H2O]+ 290.21201 162.8
[M+HCOO]- 352.21295 191.1
[M+CH3COO]- 366.22860 210.1
[M+Na-2H]- 328.18942 171.9
[M]+ 307.21420 175.8
[M]- 307.21530 175.8
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

patents stripe