CID 364123

Nsc629792

Structural Information

Molecular Formula
C18H19N3O
SMILES
CC1=CC2=C(C(=C1C)C(=O)N)N(N=C2C)CC3=CC=CC=C3
InChI
InChI=1S/C18H19N3O/c1-11-9-15-13(3)20-21(10-14-7-5-4-6-8-14)17(15)16(12(11)2)18(19)22/h4-9H,10H2,1-3H3,(H2,19,22)
InChIKey
SIXRSDKUNMONNK-UHFFFAOYSA-N
Compound name
1-benzyl-3,5,6-trimethylindazole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1528 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 170.7
[M+Na]+ 316.142018 181.6
[M-H]- 292.145524 176.7
[M+NH4]+ 311.186623 186.6
[M+K]+ 332.115958 175.8
[M+H-H2O]+ 276.150060 162.2
[M+HCOO]- 338.151001 192.9
[M+CH3COO]- 352.166651 182.9
[M+Na-2H]- 314.127466 172.6
[M]+ 293.15225142 173.7
[M]- 293.15334858 173.7
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.