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

31212
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 146.5
[M+Na]+ 234.06377 155.8
[M-H]- 210.06727 148.2
[M+NH4]+ 229.10837 164.4
[M+K]+ 250.03771 149.8
[M+H-H2O]+ 194.07181 138.7
[M+HCOO]- 256.07275 165.3
[M+CH3COO]- 270.08840 158.3
[M+Na-2H]- 232.04922 149.5
[M]+ 211.07400 142.6
[M]- 211.07510 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

literature stripe

Patent stripe

patents stripe