CID 5714572

Tripolin b

Structural Information

Molecular Formula
C12H9N3O
SMILES
C1=CC=C2C(=C1)/C(=C/C3=CN=CN3)/C(=O)N2
InChI
InChI=1S/C12H9N3O/c16-12-10(5-8-6-13-7-14-8)9-3-1-2-4-11(9)15-12/h1-7H,(H,13,14)(H,15,16)/b10-5-
InChIKey
VEEGZPWAAPPXRB-YHYXMXQVSA-N
Compound name
(3Z)-3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

31211
Patents

211.07455 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08183 147.2
[M+Na]+ 234.06377 159.1
[M+NH4]+ 229.10837 154.5
[M+K]+ 250.03771 156.4
[M-H]- 210.06727 148.0
[M+Na-2H]- 232.04922 152.5
[M]+ 211.07400 148.8
[M]- 211.07510 148.8
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