CID 2802909

99614-03-6

Structural Information

Molecular Formula
C17H17N3O
SMILES
CN1C2=C(C3=CC=CC=C31)C(=O)C(CC2)CN4C=CN=C4
InChI
InChI=1S/C17H17N3O/c1-19-14-5-3-2-4-13(14)16-15(19)7-6-12(17(16)21)10-20-9-8-18-11-20/h2-5,8-9,11-12H,6-7,10H2,1H3
InChIKey
KPSGSRBENRBWPG-UHFFFAOYSA-N
Compound name
3-(imidazol-1-ylmethyl)-9-methyl-2,3-dihydro-1H-carbazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

279.13718 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14446 165.0
[M+Na]+ 302.12640 179.8
[M+NH4]+ 297.17100 173.8
[M+K]+ 318.10034 175.3
[M-H]- 278.12990 168.4
[M+Na-2H]- 300.11185 171.2
[M]+ 279.13663 168.1
[M]- 279.13773 168.1
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