CID 15956860

Schembl6449653

Structural Information

Molecular Formula
C19H19N5O4
SMILES
CCCNC(=O)C1=CC(=NN1C2=C(C=CC=N2)[N+](=O)[O-])C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H19N5O4/c1-3-10-21-19(25)17-12-15(13-6-8-14(28-2)9-7-13)22-23(17)18-16(24(26)27)5-4-11-20-18/h4-9,11-12H,3,10H2,1-2H3,(H,21,25)
InChIKey
QCFCXLZBMAGYGD-UHFFFAOYSA-N
Compound name
5-(4-methoxyphenyl)-2-(3-nitropyridin-2-yl)-N-propylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

381.1437 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15098 188.0
[M+Na]+ 404.13292 193.5
[M-H]- 380.13642 194.7
[M+NH4]+ 399.17752 195.7
[M+K]+ 420.10686 185.0
[M+H-H2O]+ 364.14096 181.0
[M+HCOO]- 426.14190 210.1
[M+CH3COO]- 440.15755 215.2
[M+Na-2H]- 402.11837 192.5
[M]+ 381.14315 188.8
[M]- 381.14425 188.8
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