CID 11840911

5-[(z)-(5-chloro-2-oxo-1,2-dihydro-3h-indol-3-ylidene)methyl]-n,2,4-trimethyl-1h-pyrrole-3-carboxamide

Structural Information

Molecular Formula
C17H16ClN3O2
SMILES
CC1=C(NC(=C1C(=O)NC)C)/C=C\2/C3=C(C=CC(=C3)Cl)NC2=O
InChI
InChI=1S/C17H16ClN3O2/c1-8-14(20-9(2)15(8)17(23)19-3)7-12-11-6-10(18)4-5-13(11)21-16(12)22/h4-7,20H,1-3H3,(H,19,23)(H,21,22)/b12-7-
InChIKey
FIRPCWHHIWFKCD-GHXNOFRVSA-N
Compound name
5-[(Z)-(5-chloro-2-oxo-1H-indol-3-ylidene)methyl]-N,2,4-trimethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0931 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.100376 179.7
[M+Na]+ 352.082318 189.9
[M-H]- 328.085824 183.4
[M+NH4]+ 347.126923 195.6
[M+K]+ 368.056258 181.8
[M+H-H2O]+ 312.090360 173.5
[M+HCOO]- 374.091301 193.6
[M+CH3COO]- 388.106951 206.7
[M+Na-2H]- 350.067766 176.5
[M]+ 329.09255142 179.9
[M]- 329.09364858 179.9
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.