CID 71465473

Schembl1177607

Structural Information

Molecular Formula
C18H19NO3
SMILES
C1C(O1)CN(CC2CO2)C3=CC=C(C=C3)OC4=CC=CC=C4
InChI
InChI=1S/C18H19NO3/c1-2-4-15(5-3-1)22-16-8-6-14(7-9-16)19(10-17-12-20-17)11-18-13-21-18/h1-9,17-18H,10-13H2
InChIKey
SDPHOMMVBSJKJF-UHFFFAOYSA-N
Compound name
N,N-bis(oxiran-2-ylmethyl)-4-phenoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

297.1365 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.14378 168.8
[M+Na]+ 320.12572 174.9
[M-H]- 296.12922 182.6
[M+NH4]+ 315.17032 171.1
[M+K]+ 336.09966 176.4
[M+H-H2O]+ 280.13376 160.6
[M+HCOO]- 342.13470 189.8
[M+CH3COO]- 356.15035 178.5
[M+Na-2H]- 318.11117 173.8
[M]+ 297.13595 175.9
[M]- 297.13705 175.9
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.