CID 66570

4-(2,5-dibutoxy-4-nitrophenyl)morpholine

Structural Information

Molecular Formula
C18H28N2O5
SMILES
CCCCOC1=CC(=C(C=C1N2CCOCC2)OCCCC)[N+](=O)[O-]
InChI
InChI=1S/C18H28N2O5/c1-3-5-9-24-17-14-16(20(21)22)18(25-10-6-4-2)13-15(17)19-7-11-23-12-8-19/h13-14H,3-12H2,1-2H3
InChIKey
MKVBADWWJFSRRK-UHFFFAOYSA-N
Compound name
4-(2,5-dibutoxy-4-nitrophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

352.19983 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20711 187.2
[M+Na]+ 375.18905 189.7
[M-H]- 351.19255 191.7
[M+NH4]+ 370.23365 196.3
[M+K]+ 391.16299 184.3
[M+H-H2O]+ 335.19709 181.9
[M+HCOO]- 397.19803 205.2
[M+CH3COO]- 411.21368 209.1
[M+Na-2H]- 373.17450 190.4
[M]+ 352.19928 188.5
[M]- 352.20038 188.5
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