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
3
Annotation Hits

0
References

6
Patents

352.19983 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.207106 187.2
[M+Na]+ 375.189048 189.7
[M-H]- 351.192554 191.7
[M+NH4]+ 370.233653 196.3
[M+K]+ 391.162988 184.3
[M+H-H2O]+ 335.197090 181.9
[M+HCOO]- 397.198031 205.2
[M+CH3COO]- 411.213681 209.1
[M+Na-2H]- 373.174496 190.4
[M]+ 352.19928142 188.5
[M]- 352.20037858 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