CID 6536806

1055412-47-9

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
CC1=CC(=C(N1)/C=C\2/C3=C(C=CC(=C3)Cl)NC2=O)C
InChI
InChI=1S/C15H13ClN2O/c1-8-5-9(2)17-14(8)7-12-11-6-10(16)3-4-13(11)18-15(12)19/h3-7,17H,1-2H3,(H,18,19)/b12-7-
InChIKey
XLBQNZICMYZIQT-GHXNOFRVSA-N
Compound name
(3Z)-5-chloro-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

101
Patents

272.07166 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07894 161.8
[M+Na]+ 295.06088 175.3
[M+NH4]+ 290.10548 169.7
[M+K]+ 311.03482 171.3
[M-H]- 271.06438 163.6
[M+Na-2H]- 293.04633 166.1
[M]+ 272.07111 164.3
[M]- 272.07221 164.3
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

patents stripe