CID 204000

Semicarbazide, 4-butyl-1-isonicotinoyl-

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CCCCNC(=O)NNC(=O)C1=CC=NC=C1
InChI
InChI=1S/C11H16N4O2/c1-2-3-6-13-11(17)15-14-10(16)9-4-7-12-8-5-9/h4-5,7-8H,2-3,6H2,1H3,(H,14,16)(H2,13,15,17)
InChIKey
DBIBZOIPPZTLEA-UHFFFAOYSA-N
Compound name
1-butyl-3-(pyridine-4-carbonylamino)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.12732 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 154.0
[M+Na]+ 259.11654 158.1
[M-H]- 235.12004 155.8
[M+NH4]+ 254.16114 169.2
[M+K]+ 275.09048 156.4
[M+H-H2O]+ 219.12458 145.6
[M+HCOO]- 281.12552 178.6
[M+CH3COO]- 295.14117 196.4
[M+Na-2H]- 257.10199 159.8
[M]+ 236.12677 152.7
[M]- 236.12787 152.7
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.