CID 173885

4-phenylalanylaminoantipyrine

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N
InChI
InChI=1S/C20H22N4O2/c1-14-18(20(26)24(23(14)2)16-11-7-4-8-12-16)22-19(25)17(21)13-15-9-5-3-6-10-15/h3-12,17H,13,21H2,1-2H3,(H,22,25)
InChIKey
WTJPUXLQJJVGOF-UHFFFAOYSA-N
Compound name
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.1743 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 184.4
[M+Na]+ 373.16352 191.1
[M-H]- 349.16702 191.9
[M+NH4]+ 368.20812 195.5
[M+K]+ 389.13746 185.8
[M+H-H2O]+ 333.17156 174.1
[M+HCOO]- 395.17250 206.4
[M+CH3COO]- 409.18815 219.0
[M+Na-2H]- 371.14897 184.1
[M]+ 350.17375 184.1
[M]- 350.17485 184.1
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.