CID 479487

1-[(4-chlorophenyl)methyl]-4-(4-pyridyl)pyrrole-3-carbohydrazide

Structural Information

Molecular Formula
C17H15ClN4O
SMILES
C1=CC(=CC=C1CN2C=C(C(=C2)C(=O)NN)C3=CC=NC=C3)Cl
InChI
InChI=1S/C17H15ClN4O/c18-14-3-1-12(2-4-14)9-22-10-15(13-5-7-20-8-6-13)16(11-22)17(23)21-19/h1-8,10-11H,9,19H2,(H,21,23)
InChIKey
BCMSOJKBKOHFHE-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]-4-pyridin-4-ylpyrrole-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.09344 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10072 175.4
[M+Na]+ 349.08266 183.6
[M-H]- 325.08616 182.5
[M+NH4]+ 344.12726 188.2
[M+K]+ 365.05660 176.6
[M+H-H2O]+ 309.09070 165.6
[M+HCOO]- 371.09164 194.4
[M+CH3COO]- 385.10729 186.0
[M+Na-2H]- 347.06811 177.8
[M]+ 326.09289 175.9
[M]- 326.09399 175.9
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.