CID 116322

64039-13-0

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]+ 327.118676 171.6
[M+Na]+ 349.100618 176.5
[M-H]- 325.104124 177.4
[M+NH4]+ 344.145223 181.8
[M+K]+ 365.074558 173.2
[M+H-H2O]+ 309.108660 167.3
[M+HCOO]- 371.109601 190.5
[M+CH3COO]- 385.125251 202.0
[M+Na-2H]- 347.086066 175.8
[M]+ 326.11085142 173.4
[M]- 326.11194858 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.