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]+ 294.16008 170.7
[M+Na]+ 316.14202 181.6
[M-H]- 292.14552 176.7
[M+NH4]+ 311.18662 186.6
[M+K]+ 332.11596 175.8
[M+H-H2O]+ 276.15006 162.2
[M+HCOO]- 338.15100 192.9
[M+CH3COO]- 352.16665 182.9
[M+Na-2H]- 314.12747 172.6
[M]+ 293.15225 173.7
[M]- 293.15335 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.