CID 121100

1248-46-0

Structural Information

Molecular Formula
C20H24N3O4
SMILES
C[N+]1(CCOCC1)CCN(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H24N3O4/c1-23(13-15-27-16-14-23)12-11-21(18-5-3-2-4-6-18)20(24)17-7-9-19(10-8-17)22(25)26/h2-10H,11-16H2,1H3/q+1
InChIKey
HORQIDZSTJQGMP-UHFFFAOYSA-N
Compound name
N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-4-nitro-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.17667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18395 189.3
[M+Na]+ 393.16589 189.9
[M-H]- 369.16939 197.9
[M+NH4]+ 388.21049 198.3
[M+K]+ 409.13983 178.9
[M+H-H2O]+ 353.17393 185.5
[M+HCOO]- 415.17487 207.3
[M+CH3COO]- 429.19052 206.9
[M+Na-2H]- 391.15134 196.7
[M]+ 370.17612 184.0
[M]- 370.17722 184.0
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.