CID 59201

102010-61-7

Structural Information

Molecular Formula
C19H23NO3
SMILES
CC(=O)C1=CC=C(C=C1)OCCCCCOC2=CC=C(C=C2)N
InChI
InChI=1S/C19H23NO3/c1-15(21)16-5-9-18(10-6-16)22-13-3-2-4-14-23-19-11-7-17(20)8-12-19/h5-12H,2-4,13-14,20H2,1H3
InChIKey
FLHIUGCVHMOCDQ-UHFFFAOYSA-N
Compound name
1-[4-[5-(4-aminophenoxy)pentoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 176.0
[M+Na]+ 336.15702 181.1
[M-H]- 312.16052 181.6
[M+NH4]+ 331.20162 189.7
[M+K]+ 352.13096 177.4
[M+H-H2O]+ 296.16506 167.2
[M+HCOO]- 358.16600 198.9
[M+CH3COO]- 372.18165 209.7
[M+Na-2H]- 334.14247 178.0
[M]+ 313.16725 178.8
[M]- 313.16835 178.8
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

No patent data available for this compound.