CID 10891224

3-[(2-methylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one

Structural Information

Molecular Formula
C17H17N3O
SMILES
CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3
InChI
InChI=1S/C17H17N3O/c1-11-18-8-9-20(11)10-12-6-7-15-16(17(12)21)13-4-2-3-5-14(13)19-15/h2-5,8-9,12,19H,6-7,10H2,1H3
InChIKey
NTOYQHBABVCYMC-UHFFFAOYSA-N
Compound name
3-[(2-methylimidazol-1-yl)methyl]-1,2,3,9-tetrahydrocarbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

279.13718 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.144456 165.8
[M+Na]+ 302.126398 176.1
[M-H]- 278.129904 170.0
[M+NH4]+ 297.171003 183.0
[M+K]+ 318.100338 169.3
[M+H-H2O]+ 262.134440 157.3
[M+HCOO]- 324.135381 183.8
[M+CH3COO]- 338.151031 177.2
[M+Na-2H]- 300.111846 167.5
[M]+ 279.13663142 165.7
[M]- 279.13772858 165.7
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