CID 3041537

Methanone, (1-methyl-2-(1-methylethyl)-1h-indol-3-yl)-3-pyridinyl-

Structural Information

Molecular Formula
C18H18N2O
SMILES
CC(C)C1=C(C2=CC=CC=C2N1C)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C18H18N2O/c1-12(2)17-16(18(21)13-7-6-10-19-11-13)14-8-4-5-9-15(14)20(17)3/h4-12H,1-3H3
InChIKey
GOMJFICMDLIBQZ-UHFFFAOYSA-N
Compound name
(1-methyl-2-propan-2-ylindol-3-yl)-pyridin-3-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

278.1419 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 165.7
[M+Na]+ 301.131118 175.3
[M-H]- 277.134624 171.5
[M+NH4]+ 296.175723 182.1
[M+K]+ 317.105058 170.3
[M+H-H2O]+ 261.139160 157.1
[M+HCOO]- 323.140101 186.5
[M+CH3COO]- 337.155751 177.9
[M+Na-2H]- 299.116566 168.4
[M]+ 278.14135142 168.8
[M]- 278.14244858 168.8
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

patents stripe