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]+ 330.10038 179.7
[M+Na]+ 352.08232 189.9
[M-H]- 328.08582 183.4
[M+NH4]+ 347.12692 195.6
[M+K]+ 368.05626 181.8
[M+H-H2O]+ 312.09036 173.5
[M+HCOO]- 374.09130 193.6
[M+CH3COO]- 388.10695 206.7
[M+Na-2H]- 350.06777 176.5
[M]+ 329.09255 179.9
[M]- 329.09365 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.