CID 362912

Nsc627387

Structural Information

Molecular Formula
C22H20N2O
SMILES
CC1(CC(=CC2=NC3=CC=CC=C3C21O)C4=CNC5=CC=CC=C54)C
InChI
InChI=1S/C22H20N2O/c1-21(2)12-14(16-13-23-18-9-5-3-7-15(16)18)11-20-22(21,25)17-8-4-6-10-19(17)24-20/h3-11,13,23,25H,12H2,1-2H3
InChIKey
ZJSCSYPLASWQES-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-4,4-dimethyl-3H-carbazol-4a-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.15756 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16484 179.9
[M+Na]+ 351.14678 192.0
[M-H]- 327.15028 185.9
[M+NH4]+ 346.19138 200.8
[M+K]+ 367.12072 183.2
[M+H-H2O]+ 311.15482 171.2
[M+HCOO]- 373.15576 197.1
[M+CH3COO]- 387.17141 191.2
[M+Na-2H]- 349.13223 184.2
[M]+ 328.15701 180.9
[M]- 328.15811 180.9
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.