CID 124006

Gr 65630

Structural Information

Molecular Formula
C16H17N3O
SMILES
CC1=C(N=CN1)CCC(=O)C2=CC3=CC=CC=C3N2C
InChI
InChI=1S/C16H17N3O/c1-11-13(18-10-17-11)7-8-16(20)15-9-12-5-3-4-6-14(12)19(15)2/h3-6,9-10H,7-8H2,1-2H3,(H,17,18)
InChIKey
AQCBJPZFJDPIGL-UHFFFAOYSA-N
Compound name
3-(5-methyl-1H-imidazol-4-yl)-1-(1-methylindol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

59
References

4
Patents

267.13718 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 162.8
[M+Na]+ 290.126398 173.0
[M-H]- 266.129904 166.5
[M+NH4]+ 285.171003 179.6
[M+K]+ 306.100338 167.5
[M+H-H2O]+ 250.134440 154.5
[M+HCOO]- 312.135381 183.3
[M+CH3COO]- 326.151031 174.8
[M+Na-2H]- 288.111846 164.3
[M]+ 267.13663142 165.5
[M]- 267.13772858 165.5
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.