CID 206688

Pyrazole, 4-(dimethylamino)-1-phenethyl-

Structural Information

Molecular Formula
C13H17N3
SMILES
CN(C)C1=CN(N=C1)CCC2=CC=CC=C2
InChI
InChI=1S/C13H17N3/c1-15(2)13-10-14-16(11-13)9-8-12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKey
XAIIZKXIHJRKJE-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(2-phenylethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.14952 149.1
[M+Na]+ 238.13146 156.3
[M-H]- 214.13496 154.5
[M+NH4]+ 233.17606 167.1
[M+K]+ 254.10540 153.9
[M+H-H2O]+ 198.13950 140.0
[M+HCOO]- 260.14044 173.6
[M+CH3COO]- 274.15609 193.7
[M+Na-2H]- 236.11691 154.2
[M]+ 215.14169 150.6
[M]- 215.14279 150.6
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

No patent data available for this compound.