CID 24844477

104545-48-4

Structural Information

Molecular Formula
C17H24N4O2
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCNC(=O)C2=CC=CC=N2)C
InChI
InChI=1S/C17H24N4O2/c1-16(2)11-12(17(3,4)21-16)14(22)19-9-10-20-15(23)13-7-5-6-8-18-13/h5-8,11,21H,9-10H2,1-4H3,(H,19,22)(H,20,23)
InChIKey
LOTGBAGKLRGMLG-UHFFFAOYSA-N
Compound name
N-[2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]ethyl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.1899 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.19718 173.8
[M+Na]+ 339.17912 179.6
[M-H]- 315.18262 176.8
[M+NH4]+ 334.22372 190.1
[M+K]+ 355.15306 176.1
[M+H-H2O]+ 299.18716 166.4
[M+HCOO]- 361.18810 193.5
[M+CH3COO]- 375.20375 208.5
[M+Na-2H]- 337.16457 176.6
[M]+ 316.18935 172.8
[M]- 316.19045 172.8
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.