CID 6888627

303104-86-1

Structural Information

Molecular Formula
C17H17N5O2
SMILES
CN1C=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=CC=CC=C3OC
InChI
InChI=1S/C17H17N5O2/c1-22-9-5-7-15(22)13-10-14(20-19-13)17(23)21-18-11-12-6-3-4-8-16(12)24-2/h3-11H,1-2H3,(H,19,20)(H,21,23)/b18-11+
InChIKey
OUDNXOPNUCFLIT-WOJGMQOQSA-N
Compound name
N-[(E)-(2-methoxyphenyl)methylideneamino]-3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1382 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.145476 173.1
[M+Na]+ 346.127418 181.3
[M-H]- 322.130924 180.7
[M+NH4]+ 341.172023 186.1
[M+K]+ 362.101358 176.6
[M+H-H2O]+ 306.135460 162.7
[M+HCOO]- 368.136401 198.8
[M+CH3COO]- 382.152051 210.2
[M+Na-2H]- 344.112866 175.7
[M]+ 323.13765142 175.7
[M]- 323.13874858 175.7
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.