CID 3062209

1h-pyrazol-1-amine, 4-methyl-3-phenyl-5-(2-(1-pyrrolidinyl)ethoxy)-

Structural Information

Molecular Formula
C16H22N4O
SMILES
CC1=C(N(N=C1C2=CC=CC=C2)N)OCCN3CCCC3
InChI
InChI=1S/C16H22N4O/c1-13-15(14-7-3-2-4-8-14)18-20(17)16(13)21-12-11-19-9-5-6-10-19/h2-4,7-8H,5-6,9-12,17H2,1H3
InChIKey
YEZHYVQPOUIMGS-UHFFFAOYSA-N
Compound name
4-methyl-3-phenyl-5-(2-pyrrolidin-1-ylethoxy)pyrazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

286.17935 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.186626 167.1
[M+Na]+ 309.168568 173.6
[M-H]- 285.172074 172.7
[M+NH4]+ 304.213173 181.6
[M+K]+ 325.142508 169.3
[M+H-H2O]+ 269.176610 156.9
[M+HCOO]- 331.177551 187.6
[M+CH3COO]- 345.193201 177.7
[M+Na-2H]- 307.154016 166.4
[M]+ 286.17880142 165.6
[M]- 286.17989858 165.6
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