CID 16770114

1334015-29-0

Structural Information

Molecular Formula
C15H15N3O
SMILES
CC1=CC(=CC(=C1)N2C(=CC(=N2)C3=CC=CO3)N)C
InChI
InChI=1S/C15H15N3O/c1-10-6-11(2)8-12(7-10)18-15(16)9-13(17-18)14-4-3-5-19-14/h3-9H,16H2,1-2H3
InChIKey
GLQOGYVNMZAJBT-UHFFFAOYSA-N
Compound name
1-(3,5-dimethylphenyl)-3-(furan-2-yl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1215 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.128776 156.1
[M+Na]+ 276.110718 167.4
[M-H]- 252.114224 165.5
[M+NH4]+ 271.155323 172.8
[M+K]+ 292.084658 163.7
[M+H-H2O]+ 236.118760 148.1
[M+HCOO]- 298.119701 181.7
[M+CH3COO]- 312.135351 170.1
[M+Na-2H]- 274.096166 158.8
[M]+ 253.12095142 159.2
[M]- 253.12204858 159.2
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.