CID 545459

1,3,6,8-tetra-tert-butylcarbazole

Structural Information

Molecular Formula
C28H41N
SMILES
CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)NC3=C2C=C(C=C3C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C28H41N/c1-25(2,3)17-13-19-20-14-18(26(4,5)6)16-22(28(10,11)12)24(20)29-23(19)21(15-17)27(7,8)9/h13-16,29H,1-12H3
InChIKey
OVSGNPWPCZRNKI-UHFFFAOYSA-N
Compound name
1,3,6,8-tetratert-butyl-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

391.3239 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.33118 206.6
[M+Na]+ 414.31312 215.1
[M-H]- 390.31662 210.1
[M+NH4]+ 409.35772 221.8
[M+K]+ 430.28706 209.2
[M+H-H2O]+ 374.32116 201.4
[M+HCOO]- 436.32210 217.0
[M+CH3COO]- 450.33775 228.1
[M+Na-2H]- 412.29857 209.5
[M]+ 391.32335 211.0
[M]- 391.32445 211.0
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