CID 135770470

Hydrazinecarboxamide, n-(3-methoxyphenyl)-2-(1h-pyrrol-2-ylmethylene)-

Structural Information

Molecular Formula
C13H14N4O2
SMILES
COC1=CC=CC(=C1)NC(=O)N/N=C/C2=CC=CN2
InChI
InChI=1S/C13H14N4O2/c1-19-12-6-2-4-10(8-12)16-13(18)17-15-9-11-5-3-7-14-11/h2-9,14H,1H3,(H2,16,17,18)/b15-9+
InChIKey
GTMRAPLZMCGPRY-OQLLNIDSSA-N
Compound name
1-(3-methoxyphenyl)-3-[(E)-1H-pyrrol-2-ylmethylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.11166 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.118936 155.9
[M+Na]+ 281.100878 161.3
[M-H]- 257.104384 161.5
[M+NH4]+ 276.145483 171.8
[M+K]+ 297.074818 158.2
[M+H-H2O]+ 241.108920 146.9
[M+HCOO]- 303.109861 183.1
[M+CH3COO]- 317.125511 199.1
[M+Na-2H]- 279.086326 161.7
[M]+ 258.11111142 154.7
[M]- 258.11220858 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.