CID 383869

Nsc672649

Structural Information

Molecular Formula
C22H29NO3
SMILES
CC(C)NCC(C1=C(C(=C(C=C1)OC)OCC2=CC=CC=C2)CC=C)O
InChI
InChI=1S/C22H29NO3/c1-5-9-19-18(20(24)14-23-16(2)3)12-13-21(25-4)22(19)26-15-17-10-7-6-8-11-17/h5-8,10-13,16,20,23-24H,1,9,14-15H2,2-4H3
InChIKey
VFLKNXQCHAHFRO-UHFFFAOYSA-N
Compound name
1-(4-methoxy-3-phenylmethoxy-2-prop-2-enylphenyl)-2-(propan-2-ylamino)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.22203 189.3
[M+Na]+ 378.20397 193.2
[M-H]- 354.20747 193.8
[M+NH4]+ 373.24857 201.0
[M+K]+ 394.17791 189.0
[M+H-H2O]+ 338.21201 180.5
[M+HCOO]- 400.21295 209.1
[M+CH3COO]- 414.22860 219.0
[M+Na-2H]- 376.18942 188.3
[M]+ 355.21420 192.0
[M]- 355.21530 192.0
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.