CID 9571390

101868-30-8

Structural Information

Molecular Formula
C19H16Br2N4O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)/C=N/NC(=O)C3=C(C(=CC(=C3)Br)Br)O
InChI
InChI=1S/C19H16Br2N4O3/c1-11-15(19(28)25(24(11)2)13-6-4-3-5-7-13)10-22-23-18(27)14-8-12(20)9-16(21)17(14)26/h3-10,26H,1-2H3,(H,23,27)/b22-10+
InChIKey
MCHSUKWGSALGLY-LSHDLFTRSA-N
Compound name
3,5-dibromo-N-[(E)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.95892 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.96620 185.1
[M+Na]+ 528.94814 194.9
[M-H]- 504.95164 195.1
[M+NH4]+ 523.99274 196.3
[M+K]+ 544.92208 178.7
[M+H-H2O]+ 488.95618 189.4
[M+HCOO]- 550.95712 200.9
[M+CH3COO]- 564.97277 236.6
[M+Na-2H]- 526.93359 186.6
[M]+ 505.95837 220.5
[M]- 505.95947 220.5
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.