CID 203134

N-butyl-n'-nicotinoylurea

Structural Information

Molecular Formula
C11H15N3O2
SMILES
CCCCNC(=O)NC(=O)C1=CN=CC=C1
InChI
InChI=1S/C11H15N3O2/c1-2-3-7-13-11(16)14-10(15)9-5-4-6-12-8-9/h4-6,8H,2-3,7H2,1H3,(H2,13,14,15,16)
InChIKey
SKYVSYULPOEPOO-UHFFFAOYSA-N
Compound name
N-(butylcarbamoyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 150.6
[M+Na]+ 244.10564 155.6
[M-H]- 220.10914 152.5
[M+NH4]+ 239.15024 166.8
[M+K]+ 260.07958 153.8
[M+H-H2O]+ 204.11368 142.7
[M+HCOO]- 266.11462 174.2
[M+CH3COO]- 280.13027 191.9
[M+Na-2H]- 242.09109 156.0
[M]+ 221.11587 150.2
[M]- 221.11697 150.2
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.