CID 91810706

1348536-59-3

Structural Information

Molecular Formula
C22H18N4O3S
SMILES
CNC(=O)C1=CC=CC=C1S(=O)(=O)C2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4
InChI
InChI=1S/C22H18N4O3S/c1-23-22(27)18-7-2-3-8-21(18)30(28,29)16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
InChIKey
UDHVZPNZJDOMGL-FMIVXFBMSA-N
Compound name
N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfonyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

418.10995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.117226 199.7
[M+Na]+ 441.099168 208.9
[M-H]- 417.102674 206.2
[M+NH4]+ 436.143773 207.8
[M+K]+ 457.073108 200.5
[M+H-H2O]+ 401.107210 190.2
[M+HCOO]- 463.108151 214.0
[M+CH3COO]- 477.123801 208.3
[M+Na-2H]- 439.084616 203.2
[M]+ 418.10940142 202.4
[M]- 418.11049858 202.4
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

patents stripe