CID 15378

Ambenoxan

Structural Information

Molecular Formula
C14H21NO4
SMILES
COCCOCCNCC1COC2=CC=CC=C2O1
InChI
InChI=1S/C14H21NO4/c1-16-8-9-17-7-6-15-10-12-11-18-13-4-2-3-5-14(13)19-12/h2-5,12,15H,6-11H2,1H3
InChIKey
IRDXKUVPWPVZMA-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2-methoxyethoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

267.14706 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.154336 160.8
[M+Na]+ 290.136278 165.4
[M-H]- 266.139784 165.4
[M+NH4]+ 285.180883 175.1
[M+K]+ 306.110218 165.9
[M+H-H2O]+ 250.144320 153.1
[M+HCOO]- 312.145261 180.7
[M+CH3COO]- 326.160911 199.0
[M+Na-2H]- 288.121726 169.0
[M]+ 267.14651142 165.0
[M]- 267.14760858 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe