CID 216359

68946-10-1

Structural Information

Molecular Formula
C18H25N3O
SMILES
CCN1C(=C2C(=N1)C3=CC=CC=C3C2(CCCN(C)C)O)C
InChI
InChI=1S/C18H25N3O/c1-5-21-13(2)16-17(19-21)14-9-6-7-10-15(14)18(16,22)11-8-12-20(3)4/h6-7,9-10,22H,5,8,11-12H2,1-4H3
InChIKey
MQUIEPIATGXFNU-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)propyl]-2-ethyl-3-methylindeno[1,2-c]pyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.19977 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.20705 173.6
[M+Na]+ 322.18899 183.1
[M-H]- 298.19249 177.2
[M+NH4]+ 317.23359 194.4
[M+K]+ 338.16293 178.8
[M+H-H2O]+ 282.19703 166.7
[M+HCOO]- 344.19797 194.0
[M+CH3COO]- 358.21362 210.6
[M+Na-2H]- 320.17444 175.4
[M]+ 299.19922 178.8
[M]- 299.20032 178.8
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.