CID 3062202

1h-pyrazol-1-amine, 3-(4-chlorophenyl)-5-(2-(4-morpholinyl)ethoxy)-

Structural Information

Molecular Formula
C15H19ClN4O2
SMILES
C1COCCN1CCOC2=CC(=NN2N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H19ClN4O2/c16-13-3-1-12(2-4-13)14-11-15(20(17)18-14)22-10-7-19-5-8-21-9-6-19/h1-4,11H,5-10,17H2
InChIKey
HYRRMWGNQVHCLA-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-5-(2-morpholin-4-ylethoxy)pyrazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

322.11966 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.12694 174.9
[M+Na]+ 345.10888 181.7
[M-H]- 321.11238 180.1
[M+NH4]+ 340.15348 185.3
[M+K]+ 361.08282 177.1
[M+H-H2O]+ 305.11692 164.2
[M+HCOO]- 367.11786 187.8
[M+CH3COO]- 381.13351 184.4
[M+Na-2H]- 343.09433 176.2
[M]+ 322.11911 174.6
[M]- 322.12021 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

patents stripe