CID 27107

Antipyrine, 4-(ethylamino)-

Structural Information

Molecular Formula
C13H17N3O
SMILES
CCNC1=C(N(N(C1=O)C2=CC=CC=C2)C)C
InChI
InChI=1S/C13H17N3O/c1-4-14-12-10(2)15(3)16(13(12)17)11-8-6-5-7-9-11/h5-9,14H,4H2,1-3H3
InChIKey
MVHDZXNUTMWQRW-UHFFFAOYSA-N
Compound name
4-(ethylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

231.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.144436 151.9
[M+Na]+ 254.126378 162.0
[M-H]- 230.129884 157.0
[M+NH4]+ 249.170983 169.4
[M+K]+ 270.100318 158.0
[M+H-H2O]+ 214.134420 143.8
[M+HCOO]- 276.135361 176.2
[M+CH3COO]- 290.151011 195.0
[M+Na-2H]- 252.111826 155.5
[M]+ 231.13661142 154.0
[M]- 231.13770858 154.0
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