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]+ 310.12988 168.7
[M+Na]+ 332.11182 177.0
[M-H]- 308.11532 175.2
[M+NH4]+ 327.15642 181.6
[M+K]+ 348.08576 171.7
[M+H-H2O]+ 292.11986 158.9
[M+HCOO]- 354.12080 193.3
[M+CH3COO]- 368.13645 179.9
[M+Na-2H]- 330.09727 171.4
[M]+ 309.12205 169.2
[M]- 309.12315 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.