CID 9589544

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

Structural Information

Molecular Formula
C17H22N4O2
SMILES
CCCCOC1=CC=C(C=C1)NC(=O)N/N=C/C2=CC=CN2C
InChI
InChI=1S/C17H22N4O2/c1-3-4-12-23-16-9-7-14(8-10-16)19-17(22)20-18-13-15-6-5-11-21(15)2/h5-11,13H,3-4,12H2,1-2H3,(H2,19,20,22)/b18-13+
InChIKey
FUTZHENNQQZZGL-QGOAFFKASA-N
Compound name
1-(4-butoxyphenyl)-3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1743 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18158 177.0
[M+Na]+ 337.16352 186.2
[M+NH4]+ 332.20812 182.8
[M+K]+ 353.13746 181.3
[M-H]- 313.16702 180.7
[M+Na-2H]- 335.14897 183.2
[M]+ 314.17375 178.9
[M]- 314.17485 178.9
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.