CID 210533

N-ethyl-3,5-dimethyl-1-phenyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C13H17N3
SMILES
CCNC1=C(N(N=C1C)C2=CC=CC=C2)C
InChI
InChI=1S/C13H17N3/c1-4-14-13-10(2)15-16(11(13)3)12-8-6-5-7-9-12/h5-9,14H,4H2,1-3H3
InChIKey
SEEWJHYSZZPTRR-UHFFFAOYSA-N
Compound name
N-ethyl-3,5-dimethyl-1-phenylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.14224 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.149516 149.2
[M+Na]+ 238.131458 158.3
[M-H]- 214.134964 154.0
[M+NH4]+ 233.176063 167.3
[M+K]+ 254.105398 154.4
[M+H-H2O]+ 198.139500 140.9
[M+HCOO]- 260.140441 173.2
[M+CH3COO]- 274.156091 192.5
[M+Na-2H]- 236.116906 153.6
[M]+ 215.14169142 150.3
[M]- 215.14278858 150.3
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.