CID 3061866

1h-cyclohept(c,d)indol-6-ol, 3,4,5,6-tetrahydro-5-((1-methylethyl)amino)-, trans-(+-)-

Structural Information

Molecular Formula
C15H20N2O
SMILES
CC(C)N[C@H]1CCC2=CNC3=CC=CC(=C23)[C@@H]1O
InChI
InChI=1S/C15H20N2O/c1-9(2)17-13-7-6-10-8-16-12-5-3-4-11(14(10)12)15(13)18/h3-5,8-9,13,15-18H,6-7H2,1-2H3/t13-,15-/m0/s1
InChIKey
LPVDTQZMXJDRTC-ZFWWWQNUSA-N
Compound name
(9S,10S)-10-(propan-2-ylamino)-3-azatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 156.9
[M+Na]+ 267.14678 163.2
[M-H]- 243.15028 159.7
[M+NH4]+ 262.19138 175.1
[M+K]+ 283.12072 162.0
[M+H-H2O]+ 227.15482 151.7
[M+HCOO]- 289.15576 174.2
[M+CH3COO]- 303.17141 167.7
[M+Na-2H]- 265.13223 160.9
[M]+ 244.15701 153.1
[M]- 244.15811 153.1
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.