CID 362913

Nsc627388

Structural Information

Molecular Formula
C25H26N2
SMILES
CC1=CC(CC(C2=C1NC3=CC=CC=C32)(C)C)(C)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C25H26N2/c1-16-13-25(4,19-14-26-20-11-7-5-9-17(19)20)15-24(2,3)22-18-10-6-8-12-21(18)27-23(16)22/h5-14,26-27H,15H2,1-4H3
InChIKey
FBJAPBJGACFLTK-UHFFFAOYSA-N
Compound name
8-(1H-indol-3-yl)-6,8,10,10-tetramethyl-5,9-dihydrocyclohepta[b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.2096 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21688 192.7
[M+Na]+ 377.19882 205.1
[M-H]- 353.20232 200.6
[M+NH4]+ 372.24342 212.1
[M+K]+ 393.17276 197.1
[M+H-H2O]+ 337.20686 184.9
[M+HCOO]- 399.20780 209.8
[M+CH3COO]- 413.22345 203.3
[M+Na-2H]- 375.18427 194.9
[M]+ 354.20905 192.0
[M]- 354.21015 192.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.