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

38
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

patents stripe