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

6
Patents

246.14806 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.155336 156.1
[M+Na]+ 269.137278 163.2
[M-H]- 245.140784 161.4
[M+NH4]+ 264.181883 172.4
[M+K]+ 285.111218 160.9
[M+H-H2O]+ 229.145320 146.7
[M+HCOO]- 291.146261 181.2
[M+CH3COO]- 305.161911 201.2
[M+Na-2H]- 267.122726 160.0
[M]+ 246.14751142 157.7
[M]- 246.14860858 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