CID 4350371

303104-13-4

Structural Information

Molecular Formula
C15H15N5O2
SMILES
CC(C)C1=CC(=NN1)C(=O)N=NC2=C(NC3=CC=CC=C32)O
InChI
InChI=1S/C15H15N5O2/c1-8(2)11-7-12(18-17-11)14(21)20-19-13-9-5-3-4-6-10(9)16-15(13)22/h3-8,16,22H,1-2H3,(H,17,18)
InChIKey
VKHXEAOGXKDARK-UHFFFAOYSA-N
Compound name
N-[(2-hydroxy-1H-indol-3-yl)imino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1226 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.129876 166.9
[M+Na]+ 320.111818 175.4
[M-H]- 296.115324 171.1
[M+NH4]+ 315.156423 181.5
[M+K]+ 336.085758 170.9
[M+H-H2O]+ 280.119860 158.2
[M+HCOO]- 342.120801 189.2
[M+CH3COO]- 356.136451 204.7
[M+Na-2H]- 318.097266 169.6
[M]+ 297.12205142 167.9
[M]- 297.12314858 167.9
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.