CID 44722293

302918-14-5

Structural Information

Molecular Formula
C19H20BrN5OS
SMILES
CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Br
InChI
InChI=1S/C19H20BrN5OS/c1-3-25(4-2)14-7-5-13(6-8-14)12-21-24-19(26)16-11-15(22-23-16)17-9-10-18(20)27-17/h5-12H,3-4H2,1-2H3,(H,22,23)(H,24,26)/b21-12+
InChIKey
NFLKPVRKGRUYTE-CIAFOILYSA-N
Compound name
5-(5-bromothiophen-2-yl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.0572 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.06448 191.7
[M+Na]+ 468.04642 192.8
[M+NH4]+ 463.09102 194.6
[M+K]+ 484.02036 193.8
[M-H]- 444.04992 195.1
[M+Na-2H]- 466.03187 196.0
[M]+ 445.05665 191.8
[M]- 445.05775 191.8
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.