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]+ 312.155406 170.9
[M+Na]+ 334.137348 174.3
[M-H]- 310.140854 176.1
[M+NH4]+ 329.181953 181.4
[M+K]+ 350.111288 169.6
[M+H-H2O]+ 294.145390 166.1
[M+HCOO]- 356.146331 191.3
[M+CH3COO]- 370.161981 202.0
[M+Na-2H]- 332.122796 176.9
[M]+ 311.14758142 170.1
[M]- 311.14867858 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.