CID 135628864

303095-26-3

Structural Information

Molecular Formula
C17H12BrN5OS
SMILES
C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)C3=NNC(=C3)C4=CC=C(S4)Br
InChI
InChI=1S/C17H12BrN5OS/c18-16-6-5-15(25-16)13-7-14(22-21-13)17(24)23-20-9-10-8-19-12-4-2-1-3-11(10)12/h1-9,19H,(H,21,22)(H,23,24)/b20-9+
InChIKey
FPBJFNLFENBAKI-AWQFTUOYSA-N
Compound name
5-(5-bromothiophen-2-yl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.9946 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.00188 177.1
[M+Na]+ 435.98382 191.4
[M-H]- 411.98732 188.4
[M+NH4]+ 431.02842 194.1
[M+K]+ 451.95776 178.1
[M+H-H2O]+ 395.99186 176.6
[M+HCOO]- 457.99280 196.9
[M+CH3COO]- 472.00845 190.8
[M+Na-2H]- 433.96927 180.0
[M]+ 412.99405 199.2
[M]- 412.99515 199.2
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.