CID 15469209

3,6-di-tert-butylcarbazole

Structural Information

Molecular Formula
C20H25N
SMILES
CC(C)(C)C1=CC2=C(C=C1)NC3=C2C=C(C=C3)C(C)(C)C
InChI
InChI=1S/C20H25N/c1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17/h7-12,21H,1-6H3
InChIKey
OYFFSPILVQLRQA-UHFFFAOYSA-N
Compound name
3,6-ditert-butyl-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3039
Patents

279.1987 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.20598 172.3
[M+Na]+ 302.18792 182.1
[M-H]- 278.19142 175.9
[M+NH4]+ 297.23252 191.4
[M+K]+ 318.16186 176.0
[M+H-H2O]+ 262.19596 166.6
[M+HCOO]- 324.19690 189.0
[M+CH3COO]- 338.21255 202.2
[M+Na-2H]- 300.17337 178.0
[M]+ 279.19815 174.5
[M]- 279.19925 174.5
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