CID 9604777

1-methyl-5-phenyl-4-[(e)-c-phenyl-n-(2-pyridylamino)carbonimidoyl]pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C23H19N5O2
SMILES
CN1C(=C(C(=N1)C(=O)O)/C(=N/NC2=CC=CC=N2)/C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H19N5O2/c1-28-22(17-12-6-3-7-13-17)19(21(27-28)23(29)30)20(16-10-4-2-5-11-16)26-25-18-14-8-9-15-24-18/h2-15H,1H3,(H,24,25)(H,29,30)/b26-20+
InChIKey
RRIGRYYERRBTCF-LHLOQNFPSA-N
Compound name
1-methyl-5-phenyl-4-[(E)-C-phenyl-N-(pyridin-2-ylamino)carbonimidoyl]pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.15387 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.16115 193.2
[M+Na]+ 420.14309 198.6
[M-H]- 396.14659 202.4
[M+NH4]+ 415.18769 200.0
[M+K]+ 436.11703 192.2
[M+H-H2O]+ 380.15113 180.6
[M+HCOO]- 442.15207 214.4
[M+CH3COO]- 456.16772 201.7
[M+Na-2H]- 418.12854 195.8
[M]+ 397.15332 192.2
[M]- 397.15442 192.2
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.