CID 3018173

71604-74-5

Structural Information

Molecular Formula
C15H19NO4
SMILES
C1C(O1)CN(CC2CO2)C3=CC(=CC=C3)OCC4CO4
InChI
InChI=1S/C15H19NO4/c1-2-11(4-12(3-1)17-9-15-10-20-15)16(5-13-7-18-13)6-14-8-19-14/h1-4,13-15H,5-10H2
InChIKey
VAGOJLCWTUPBKD-UHFFFAOYSA-N
Compound name
3-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1405
Patents

277.1314 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 116.7
[M+Na]+ 300.12062 127.9
[M+NH4]+ 295.16522 123.8
[M+K]+ 316.09456 130.2
[M-H]- 276.12412 136.3
[M+Na-2H]- 298.10607 130.0
[M]+ 277.13085 126.1
[M]- 277.13195 126.1
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