CID 3062210

1h-pyrazol-1-amine, 5-(2-(dimethylamino)ethoxy)-3-phenyl-

Structural Information

Molecular Formula
C13H18N4O
SMILES
CN(C)CCOC1=CC(=NN1N)C2=CC=CC=C2
InChI
InChI=1S/C13H18N4O/c1-16(2)8-9-18-13-10-12(15-17(13)14)11-6-4-3-5-7-11/h3-7,10H,8-9,14H2,1-2H3
InChIKey
JCHXWCKGDPFGKY-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethoxy]-3-phenylpyrazol-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

246.14806 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 156.1
[M+Na]+ 269.13728 163.2
[M-H]- 245.14078 161.4
[M+NH4]+ 264.18188 172.4
[M+K]+ 285.11122 160.9
[M+H-H2O]+ 229.14532 146.7
[M+HCOO]- 291.14626 181.2
[M+CH3COO]- 305.16191 201.2
[M+Na-2H]- 267.12273 160.0
[M]+ 246.14751 157.7
[M]- 246.14861 157.7
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