CID 4652878

Oprea1_397676

Structural Information

Molecular Formula
C17H17N3O3
SMILES
C1COCCN1C2=CC=C(C=C2)N=CC3=CC(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H17N3O3/c21-20(22)17-3-1-2-14(12-17)13-18-15-4-6-16(7-5-15)19-8-10-23-11-9-19/h1-7,12-13H,8-11H2
InChIKey
HFILHQJONNREKN-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-ylphenyl)-1-(3-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.12698 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13426 172.0
[M+Na]+ 334.11620 175.2
[M-H]- 310.11970 181.1
[M+NH4]+ 329.16080 182.2
[M+K]+ 350.09014 168.4
[M+H-H2O]+ 294.12424 165.6
[M+HCOO]- 356.12518 193.8
[M+CH3COO]- 370.14083 202.7
[M+Na-2H]- 332.10165 179.3
[M]+ 311.12643 167.4
[M]- 311.12753 167.4
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.