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
2
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]+ 280.190716 168.9
[M+Na]+ 302.172658 173.5
[M-H]- 278.176164 173.0
[M+NH4]+ 297.217263 185.3
[M+K]+ 318.146598 172.7
[M+H-H2O]+ 262.180700 161.1
[M+HCOO]- 324.181641 192.5
[M+CH3COO]- 338.197291 207.2
[M+Na-2H]- 300.158106 170.9
[M]+ 279.18289142 175.2
[M]- 279.18398858 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