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

7
Patents

286.17935 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.18663 167.1
[M+Na]+ 309.16857 173.6
[M-H]- 285.17207 172.7
[M+NH4]+ 304.21317 181.6
[M+K]+ 325.14251 169.3
[M+H-H2O]+ 269.17661 156.9
[M+HCOO]- 331.17755 187.6
[M+CH3COO]- 345.19320 177.7
[M+Na-2H]- 307.15402 166.4
[M]+ 286.17880 165.6
[M]- 286.17990 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