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

7
Patents

231.13716 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.14444 151.9
[M+Na]+ 254.12638 162.0
[M-H]- 230.12988 157.0
[M+NH4]+ 249.17098 169.4
[M+K]+ 270.10032 158.0
[M+H-H2O]+ 214.13442 143.8
[M+HCOO]- 276.13536 176.2
[M+CH3COO]- 290.15101 195.0
[M+Na-2H]- 252.11183 155.5
[M]+ 231.13661 154.0
[M]- 231.13771 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