CID 9589552

Semicarbazide, 4-(p-bromophenyl)-1-((1-methyl-2-pyrrolyl)methylene)-

Structural Information

Molecular Formula
C13H13BrN4O
SMILES
CN1C=CC=C1/C=N/NC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H13BrN4O/c1-18-8-2-3-12(18)9-15-17-13(19)16-11-6-4-10(14)5-7-11/h2-9H,1H3,(H2,16,17,19)/b15-9+
InChIKey
IXWWJOCFEJXPSN-OQLLNIDSSA-N
Compound name
1-(4-bromophenyl)-3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.02728 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.03456 169.2
[M+Na]+ 343.01650 170.3
[M+NH4]+ 338.06110 172.6
[M+K]+ 358.99044 171.3
[M-H]- 319.02000 171.5
[M+Na-2H]- 341.00195 172.8
[M]+ 320.02673 168.5
[M]- 320.02783 168.5
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.