CID 198678

95873-63-5

Structural Information

Molecular Formula
C19H19N5O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C19H19N5O3/c1-13-17(19(27)24(23(13)2)15-8-4-3-5-9-15)22-16(25)12-21-18(26)14-7-6-10-20-11-14/h3-11H,12H2,1-2H3,(H,21,26)(H,22,25)
InChIKey
IAEGMISYTZHFAU-UHFFFAOYSA-N
Compound name
N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

365.1488 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.15608 185.6
[M+Na]+ 388.13802 192.9
[M-H]- 364.14152 192.6
[M+NH4]+ 383.18262 194.8
[M+K]+ 404.11196 188.0
[M+H-H2O]+ 348.14606 174.6
[M+HCOO]- 410.14700 207.6
[M+CH3COO]- 424.16265 220.2
[M+Na-2H]- 386.12347 187.1
[M]+ 365.14825 187.1
[M]- 365.14935 187.1
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