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]+ 280.14446 165.2
[M+Na]+ 302.12640 176.2
[M-H]- 278.12990 169.8
[M+NH4]+ 297.17100 182.6
[M+K]+ 318.10034 169.9
[M+H-H2O]+ 262.13444 156.8
[M+HCOO]- 324.13538 184.4
[M+CH3COO]- 338.15103 177.1
[M+Na-2H]- 300.11185 168.0
[M]+ 279.13663 167.3
[M]- 279.13773 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.