CID 9564460

3-(1-methyl-1h-pyrrol-2-yl)-n'-[(e)-(2,4,5-trimethoxyphenyl)methylidene]-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C19H21N5O4
SMILES
CN1C=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=CC(=C(C=C3OC)OC)OC
InChI
InChI=1S/C19H21N5O4/c1-24-7-5-6-15(24)13-9-14(22-21-13)19(25)23-20-11-12-8-17(27-3)18(28-4)10-16(12)26-2/h5-11H,1-4H3,(H,21,22)(H,23,25)/b20-11+
InChIKey
QXDLTJZVPLCQFM-RGVLZGJSSA-N
Compound name
3-(1-methylpyrrol-2-yl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

383.15936 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.16664 187.8
[M+Na]+ 406.14858 196.2
[M-H]- 382.15208 195.8
[M+NH4]+ 401.19318 198.6
[M+K]+ 422.12252 192.5
[M+H-H2O]+ 366.15662 177.4
[M+HCOO]- 428.15756 213.0
[M+CH3COO]- 442.17321 222.9
[M+Na-2H]- 404.13403 188.2
[M]+ 383.15881 194.5
[M]- 383.15991 194.5
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.