CID 135472531

1-phenyl-3-(pyrrol-2-ylidenemethylamino)urea

Structural Information

Molecular Formula
C12H12N4O
SMILES
C1=CC=C(C=C1)NC(=O)N/N=C/C2=CC=CN2
InChI
InChI=1S/C12H12N4O/c17-12(15-10-5-2-1-3-6-10)16-14-9-11-7-4-8-13-11/h1-9,13H,(H2,15,16,17)/b14-9+
InChIKey
NWTYISUZWFHEEV-NTEUORMPSA-N
Compound name
1-phenyl-3-[(E)-1H-pyrrol-2-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1011 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10838 151.9
[M+Na]+ 251.09032 161.3
[M+NH4]+ 246.13492 158.9
[M+K]+ 267.06426 157.0
[M-H]- 227.09382 155.7
[M+Na-2H]- 249.07577 159.7
[M]+ 228.10055 153.8
[M]- 228.10165 153.8
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.

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No patent data available for this compound.