CID 116322

4-(2-nitro-3,4,5-trimethoxybenzoyl)morpholine

Structural Information

Molecular Formula
C14H18N2O7
SMILES
COC1=C(C(=C(C(=C1)C(=O)N2CCOCC2)[N+](=O)[O-])OC)OC
InChI
InChI=1S/C14H18N2O7/c1-20-10-8-9(14(17)15-4-6-23-7-5-15)11(16(18)19)13(22-3)12(10)21-2/h8H,4-7H2,1-3H3
InChIKey
ZTRGBFFAXYVNSM-UHFFFAOYSA-N
Compound name
morpholin-4-yl-(3,4,5-trimethoxy-2-nitrophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1114 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11868 171.6
[M+Na]+ 349.10062 176.5
[M-H]- 325.10412 177.4
[M+NH4]+ 344.14522 181.8
[M+K]+ 365.07456 173.2
[M+H-H2O]+ 309.10866 167.3
[M+HCOO]- 371.10960 190.5
[M+CH3COO]- 385.12525 202.0
[M+Na-2H]- 347.08607 175.8
[M]+ 326.11085 173.4
[M]- 326.11195 173.4
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.