CID 5345858

303104-83-8

Structural Information

Molecular Formula
C16H15N5O2
SMILES
CN1C=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=CC(=CC=C3)O
InChI
InChI=1S/C16H15N5O2/c1-21-7-3-6-15(21)13-9-14(19-18-13)16(23)20-17-10-11-4-2-5-12(22)8-11/h2-10,22H,1H3,(H,18,19)(H,20,23)/b17-10+
InChIKey
JMXSOGWVDUSAIF-LICLKQGHSA-N
Compound name
N-[(E)-(3-hydroxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

309.1226 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.129876 168.7
[M+Na]+ 332.111818 177.0
[M-H]- 308.115324 175.2
[M+NH4]+ 327.156423 181.6
[M+K]+ 348.085758 171.7
[M+H-H2O]+ 292.119860 158.9
[M+HCOO]- 354.120801 193.3
[M+CH3COO]- 368.136451 179.9
[M+Na-2H]- 330.097266 171.4
[M]+ 309.12205142 169.2
[M]- 309.12314858 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.