CID 216364

68946-06-5

Structural Information

Molecular Formula
C18H25N3O
SMILES
CCN1C2=C(C(=N1)C)C(C3=CC=CC=C32)(CCCN(C)C)O
InChI
InChI=1S/C18H25N3O/c1-5-21-17-14-9-6-7-10-15(14)18(22,11-8-12-20(3)4)16(17)13(2)19-21/h6-7,9-10,22H,5,8,11-12H2,1-4H3
InChIKey
YQCRACQDEOQAIW-UHFFFAOYSA-N
Compound name
4-[3-(dimethylamino)propyl]-1-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 172.5
[M+Na]+ 322.18899 183.5
[M+NH4]+ 317.23359 181.8
[M+K]+ 338.16293 178.4
[M-H]- 298.19249 174.1
[M+Na-2H]- 320.17444 176.7
[M]+ 299.19922 174.6
[M]- 299.20032 174.6
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.