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

2
Patents

418.10995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.11723 199.7
[M+Na]+ 441.09917 208.9
[M-H]- 417.10267 206.2
[M+NH4]+ 436.14377 207.8
[M+K]+ 457.07311 200.5
[M+H-H2O]+ 401.10721 190.2
[M+HCOO]- 463.10815 214.0
[M+CH3COO]- 477.12380 208.3
[M+Na-2H]- 439.08462 203.2
[M]+ 418.10940 202.4
[M]- 418.11050 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