CID 459472

3-(2-cyanoacetyl)-n-(1h-indazol-6-yl)naphthalene-2-sulfonamide

Structural Information

Molecular Formula
C20H14N4O3S
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)CC#N)S(=O)(=O)NC3=CC4=C(C=C3)C=NN4
InChI
InChI=1S/C20H14N4O3S/c21-8-7-19(25)17-9-13-3-1-2-4-14(13)10-20(17)28(26,27)24-16-6-5-15-12-22-23-18(15)11-16/h1-6,9-12,24H,7H2,(H,22,23)
InChIKey
WUCFOFAEYVOHEU-UHFFFAOYSA-N
Compound name
3-(2-cyanoacetyl)-N-(1H-indazol-6-yl)naphthalene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.07867 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.08595 204.5
[M+Na]+ 413.06789 216.0
[M-H]- 389.07139 207.7
[M+NH4]+ 408.11249 214.5
[M+K]+ 429.04183 206.7
[M+H-H2O]+ 373.07593 189.7
[M+HCOO]- 435.07687 215.1
[M+CH3COO]- 449.09252 211.6
[M+Na-2H]- 411.05334 207.6
[M]+ 390.07812 202.2
[M]- 390.07922 202.2
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.