CID 464122

Methylcarbazole der.

Structural Information

Molecular Formula
C17H17N3O
SMILES
CN1C2=C(C=CC(=C2)C3=NCCN3)C4=C1C=C(C=C4)OC
InChI
InChI=1S/C17H17N3O/c1-20-15-9-11(17-18-7-8-19-17)3-5-13(15)14-6-4-12(21-2)10-16(14)20/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKey
ZRRKLUFQMLYXSK-UHFFFAOYSA-N
Compound name
2-(4,5-dihydro-1H-imidazol-2-yl)-7-methoxy-9-methylcarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
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 165.2
[M+Na]+ 302.126398 176.2
[M-H]- 278.129904 169.8
[M+NH4]+ 297.171003 182.6
[M+K]+ 318.100338 169.9
[M+H-H2O]+ 262.134440 156.8
[M+HCOO]- 324.135381 184.4
[M+CH3COO]- 338.151031 177.1
[M+Na-2H]- 300.111846 168.0
[M]+ 279.13663142 167.3
[M]- 279.13772858 167.3
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

No patent data available for this compound.