CID 122913

32597-38-9

Structural Information

Molecular Formula
C18H23N3O
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC3CC4CCC3C4
InChI
InChI=1S/C18H23N3O/c1-12-17(19-16-11-13-8-9-14(16)10-13)18(22)21(20(12)2)15-6-4-3-5-7-15/h3-7,13-14,16,19H,8-11H2,1-2H3
InChIKey
UQIQPBXSAGXWTO-UHFFFAOYSA-N
Compound name
4-(2-bicyclo[2.2.1]heptanylamino)-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1841 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.191376 170.4
[M+Na]+ 320.173318 178.6
[M-H]- 296.176824 178.3
[M+NH4]+ 315.217923 190.1
[M+K]+ 336.147258 173.8
[M+H-H2O]+ 280.181360 163.2
[M+HCOO]- 342.182301 191.4
[M+CH3COO]- 356.197951 182.2
[M+Na-2H]- 318.158766 168.3
[M]+ 297.18355142 170.6
[M]- 297.18464858 170.6
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.