CID 10680000

1h-imidazole, 1-(1h-indol-3-ylcarbonyl)-

Structural Information

Molecular Formula
C12H9N3O
SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)N3C=CN=C3
InChI
InChI=1S/C12H9N3O/c16-12(15-6-5-13-8-15)10-7-14-11-4-2-1-3-9(10)11/h1-8,14H
InChIKey
SCCOEDPYQZHULK-UHFFFAOYSA-N
Compound name
imidazol-1-yl(1H-indol-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

211.07455 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.081826 144.2
[M+Na]+ 234.063768 154.5
[M-H]- 210.067274 147.8
[M+NH4]+ 229.108373 162.7
[M+K]+ 250.037708 150.0
[M+H-H2O]+ 194.071810 136.1
[M+HCOO]- 256.072751 166.2
[M+CH3COO]- 270.088401 157.3
[M+Na-2H]- 232.049216 149.3
[M]+ 211.07400142 144.7
[M]- 211.07509858 144.7
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