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]+ 298.12988 166.9
[M+Na]+ 320.11182 175.4
[M-H]- 296.11532 171.1
[M+NH4]+ 315.15642 181.5
[M+K]+ 336.08576 170.9
[M+H-H2O]+ 280.11986 158.2
[M+HCOO]- 342.12080 189.2
[M+CH3COO]- 356.13645 204.7
[M+Na-2H]- 318.09727 169.6
[M]+ 297.12205 167.9
[M]- 297.12315 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.