CID 72442

4-morpholineethanamine, n-(4,5-dimethoxy-2-nitrophenyl)-

Structural Information

Molecular Formula
C14H21N3O5
SMILES
COC1=C(C=C(C(=C1)NCCN2CCOCC2)[N+](=O)[O-])OC
InChI
InChI=1S/C14H21N3O5/c1-20-13-9-11(12(17(18)19)10-14(13)21-2)15-3-4-16-5-7-22-8-6-16/h9-10,15H,3-8H2,1-2H3
InChIKey
PQZPBTFHHZUHET-UHFFFAOYSA-N
Compound name
4,5-dimethoxy-N-(2-morpholin-4-ylethyl)-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.14813 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15541 170.9
[M+Na]+ 334.13735 174.3
[M-H]- 310.14085 176.1
[M+NH4]+ 329.18195 181.4
[M+K]+ 350.11129 169.6
[M+H-H2O]+ 294.14539 166.1
[M+HCOO]- 356.14633 191.3
[M+CH3COO]- 370.16198 202.0
[M+Na-2H]- 332.12280 176.9
[M]+ 311.14758 170.1
[M]- 311.14868 170.1
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.