CID 3054154

N-nicotinoyl-n'-mmu

Structural Information

Molecular Formula
C12H16N4O3
SMILES
C1COCCN1CNC(=O)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C12H16N4O3/c17-11(10-2-1-3-13-8-10)15-12(18)14-9-16-4-6-19-7-5-16/h1-3,8H,4-7,9H2,(H2,14,15,17,18)
InChIKey
YINBMBAKNCXZDX-UHFFFAOYSA-N
Compound name
N-(morpholin-4-ylmethylcarbamoyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

264.12225 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12953 159.9
[M+Na]+ 287.11147 162.6
[M-H]- 263.11497 163.3
[M+NH4]+ 282.15607 170.7
[M+K]+ 303.08541 161.8
[M+H-H2O]+ 247.11951 149.9
[M+HCOO]- 309.12045 178.2
[M+CH3COO]- 323.13610 197.0
[M+Na-2H]- 285.09692 165.5
[M]+ 264.12170 155.6
[M]- 264.12280 155.6
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

patents stripe