CID 136033470

Acetamide, n-[4-[(2z)-2-[1-[(3,5-dichlorobenzo[b]thien-2-yl)carbonyl]-1,5-dihydro-3-methyl-5-oxo-4h-pyrazol-4-ylidene]hydrazino]phenyl]-

Structural Information

Molecular Formula
C21H15Cl2N5O3S
SMILES
CC1=C(C(=O)N(N1)C(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)Cl)N=NC4=CC=C(C=C4)NC(=O)C
InChI
InChI=1S/C21H15Cl2N5O3S/c1-10-18(26-25-14-6-4-13(5-7-14)24-11(2)29)20(30)28(27-10)21(31)19-17(23)15-9-12(22)3-8-16(15)32-19/h3-9,27H,1-2H3,(H,24,29)
InChIKey
ABFKWBQYSUOVNC-UHFFFAOYSA-N
Compound name
N-[4-[[2-(3,5-dichloro-1-benzothiophene-2-carbonyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.02725 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.03453 215.7
[M+Na]+ 510.01647 227.5
[M-H]- 486.01997 227.1
[M+NH4]+ 505.06107 227.5
[M+K]+ 525.99041 220.4
[M+H-H2O]+ 470.02451 208.4
[M+HCOO]- 532.02545 228.1
[M+CH3COO]- 546.04110 225.6
[M+Na-2H]- 508.00192 213.3
[M]+ 487.02670 226.3
[M]- 487.02780 226.3
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.