CID 5392996

Dtxsid001328586

Structural Information

Molecular Formula
C14H13ClN4O3
SMILES
CN1C=CC=C1CC(=O)N/N=C\C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H13ClN4O3/c1-18-6-2-3-11(18)8-14(20)17-16-9-10-4-5-12(15)13(7-10)19(21)22/h2-7,9H,8H2,1H3,(H,17,20)/b16-9-
InChIKey
MHKYAIWHNDLPMK-SXGWCWSVSA-N
Compound name
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(1-methylpyrrol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.06763 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.07491 169.9
[M+Na]+ 343.05685 182.1
[M+NH4]+ 338.10145 176.4
[M+K]+ 359.03079 179.9
[M-H]- 319.06035 174.5
[M+Na-2H]- 341.04230 176.3
[M]+ 320.06708 172.8
[M]- 320.06818 172.8
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.