CID 54714

N-antipyrinyl-p-iodobenzamide

Structural Information

Molecular Formula
C18H16IN3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)I
InChI
InChI=1S/C18H16IN3O2/c1-12-16(20-17(23)13-8-10-14(19)11-9-13)18(24)22(21(12)2)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,20,23)
InChIKey
GZBALIAMXXEKSK-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.02872 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.03600 182.4
[M+Na]+ 456.01794 184.7
[M-H]- 432.02144 183.2
[M+NH4]+ 451.06254 190.7
[M+K]+ 471.99188 185.2
[M+H-H2O]+ 416.02598 169.2
[M+HCOO]- 478.02692 200.1
[M+CH3COO]- 492.04257 218.2
[M+Na-2H]- 454.00339 172.0
[M]+ 433.02817 181.3
[M]- 433.02927 181.3
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

No patent data available for this compound.