CID 135770472

Semicarbazide, 4-(p-methoxyphenyl)-1-(2-pyrrolylmethylene)-

Structural Information

Molecular Formula
C13H14N4O2
SMILES
COC1=CC=C(C=C1)NC(=O)N/N=C/C2=CC=CN2
InChI
InChI=1S/C13H14N4O2/c1-19-12-6-4-10(5-7-12)16-13(18)17-15-9-11-3-2-8-14-11/h2-9,14H,1H3,(H2,16,17,18)/b15-9+
InChIKey
RGVYCXYEOGWDNY-OQLLNIDSSA-N
Compound name
1-(4-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]+ 259.11894 159.4
[M+Na]+ 281.10088 168.4
[M+NH4]+ 276.14548 165.5
[M+K]+ 297.07482 164.7
[M-H]- 257.10438 162.6
[M+Na-2H]- 279.08633 166.2
[M]+ 258.11111 161.0
[M]- 258.11221 161.0
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.