CID 22479942

N-{3-[5-(1h-1,2,4-triazol-3-yl)-1h-indazol-3-yl]phenyl}furan-2-carboxamide

Structural Information

Molecular Formula
C20H14N6O2
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=CO2)C3=NNC4=C3C=C(C=C4)C5=NC=NN5
InChI
InChI=1S/C20H14N6O2/c27-20(17-5-2-8-28-17)23-14-4-1-3-12(9-14)18-15-10-13(19-21-11-22-26-19)6-7-16(15)24-25-18/h1-11H,(H,23,27)(H,24,25)(H,21,22,26)
InChIKey
LMDMJDCLPIVGQD-UHFFFAOYSA-N
Compound name
N-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

370.11783 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12511 177.9
[M+Na]+ 393.10705 187.7
[M-H]- 369.11055 186.5
[M+NH4]+ 388.15165 186.2
[M+K]+ 409.08099 181.6
[M+H-H2O]+ 353.11509 168.0
[M+HCOO]- 415.11603 197.8
[M+CH3COO]- 429.13168 188.2
[M+Na-2H]- 391.09250 180.1
[M]+ 370.11728 179.9
[M]- 370.11838 179.9
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