CID 135770475

Hydrazinecarboxamide, n-(4-nitrophenyl)-2-(1h-pyrrol-2-ylmethylene)-

Structural Information

Molecular Formula
C12H11N5O3
SMILES
C1=CNC(=C1)/C=N/NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H11N5O3/c18-12(16-14-8-10-2-1-7-13-10)15-9-3-5-11(6-4-9)17(19)20/h1-8,13H,(H2,15,16,18)/b14-8+
InChIKey
TWYXQECMHNGCAV-RIYZIHGNSA-N
Compound name
1-(4-nitrophenyl)-3-[(E)-1H-pyrrol-2-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.08618 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09346 154.6
[M+Na]+ 296.07540 158.6
[M-H]- 272.07890 160.2
[M+NH4]+ 291.12000 168.7
[M+K]+ 312.04934 151.5
[M+H-H2O]+ 256.08344 150.0
[M+HCOO]- 318.08438 182.8
[M+CH3COO]- 332.10003 194.7
[M+Na-2H]- 294.06085 162.9
[M]+ 273.08563 150.1
[M]- 273.08673 150.1
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.