CID 10430623

744218-85-7

Structural Information

Molecular Formula
C21H20N4O2S
SMILES
C1CN(CCN1)C2=CC3=C(NN=C3C=C2)S(=O)(=O)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C21H20N4O2S/c26-28(27,20-7-3-5-15-4-1-2-6-17(15)20)21-18-14-16(8-9-19(18)23-24-21)25-12-10-22-11-13-25/h1-9,14,22H,10-13H2,(H,23,24)
InChIKey
FYOVZCDHYOEKDE-UHFFFAOYSA-N
Compound name
3-naphthalen-1-ylsulfonyl-5-piperazin-1-yl-2H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

102
Patents

392.1307 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.13798 190.9
[M+Na]+ 415.11992 199.5
[M-H]- 391.12342 194.6
[M+NH4]+ 410.16452 199.3
[M+K]+ 431.09386 190.5
[M+H-H2O]+ 375.12796 181.5
[M+HCOO]- 437.12890 197.9
[M+CH3COO]- 451.14455 198.4
[M+Na-2H]- 413.10537 194.6
[M]+ 392.13015 188.4
[M]- 392.13125 188.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe