CID 27114

Benzamide, o-amino-n-antipyrinyl-n-ethyl-

Structural Information

Molecular Formula
C20H22N4O2
SMILES
CCN(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C(=O)C3=CC=CC=C3N
InChI
InChI=1S/C20H22N4O2/c1-4-23(19(25)16-12-8-9-13-17(16)21)18-14(2)22(3)24(20(18)26)15-10-6-5-7-11-15/h5-13H,4,21H2,1-3H3
InChIKey
PXIUVQPIBSDZTL-UHFFFAOYSA-N
Compound name
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1743 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.18158 184.8
[M+Na]+ 373.16352 192.9
[M-H]- 349.16702 194.1
[M+NH4]+ 368.20812 196.9
[M+K]+ 389.13746 188.4
[M+H-H2O]+ 333.17156 174.5
[M+HCOO]- 395.17250 208.3
[M+CH3COO]- 409.18815 222.5
[M+Na-2H]- 371.14897 184.1
[M]+ 350.17375 186.8
[M]- 350.17485 186.8
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

No patent data available for this compound.