CID 2811254

Oprea1_289867

Structural Information

Molecular Formula
C22H23N5O2
SMILES
CCCC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=NN(C4=C3C(=CC=C4)OC)C
InChI
InChI=1S/C22H23N5O2/c1-4-9-17-16(14-23-27(17)15-10-6-5-7-11-15)22(28)24-21-20-18(26(2)25-21)12-8-13-19(20)29-3/h5-8,10-14H,4,9H2,1-3H3,(H,24,25,28)
InChIKey
MPJPVVFKWYGZDO-UHFFFAOYSA-N
Compound name
N-(4-methoxy-1-methylindazol-3-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

389.18518 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.192456 194.4
[M+Na]+ 412.174398 204.0
[M-H]- 388.177904 201.7
[M+NH4]+ 407.219003 204.9
[M+K]+ 428.148338 197.8
[M+H-H2O]+ 372.182440 183.4
[M+HCOO]- 434.183381 215.3
[M+CH3COO]- 448.199031 204.4
[M+Na-2H]- 410.159846 194.6
[M]+ 389.18463142 200.2
[M]- 389.18572858 200.2
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

No patent data available for this compound.