CID 85124

Caswell no. 401a

Structural Information

Molecular Formula
C16H25NO3
SMILES
CCCN(CCC)C(=O)COCC1=CC=C(C=C1)OC
InChI
InChI=1S/C16H25NO3/c1-4-10-17(11-5-2)16(18)13-20-12-14-6-8-15(19-3)9-7-14/h6-9H,4-5,10-13H2,1-3H3
InChIKey
OVSNUWZWBXXBSE-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methoxy]-N,N-dipropylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18344 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 168.9
[M+Na]+ 302.17266 173.5
[M-H]- 278.17616 173.0
[M+NH4]+ 297.21726 185.3
[M+K]+ 318.14660 172.7
[M+H-H2O]+ 262.18070 161.1
[M+HCOO]- 324.18164 192.5
[M+CH3COO]- 338.19729 207.2
[M+Na-2H]- 300.15811 170.9
[M]+ 279.18289 175.2
[M]- 279.18399 175.2
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