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 155.9
[M+Na]+ 281.10088 161.3
[M-H]- 257.10438 161.5
[M+NH4]+ 276.14548 171.8
[M+K]+ 297.07482 158.2
[M+H-H2O]+ 241.10892 146.9
[M+HCOO]- 303.10986 183.1
[M+CH3COO]- 317.12551 199.1
[M+Na-2H]- 279.08633 161.7
[M]+ 258.11111 154.7
[M]- 258.11221 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.