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

11
References

25178
Patents

211.07455 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.081826 146.5
[M+Na]+ 234.063768 155.8
[M-H]- 210.067274 148.2
[M+NH4]+ 229.108373 164.4
[M+K]+ 250.037708 149.8
[M+H-H2O]+ 194.071810 138.7
[M+HCOO]- 256.072751 165.3
[M+CH3COO]- 270.088401 158.3
[M+Na-2H]- 232.049216 149.5
[M]+ 211.07400142 142.6
[M]- 211.07509858 142.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.