CID 34208

Brn 1653825

Structural Information

Molecular Formula
C18H21NO
SMILES
C1CC2=CC=CC=C2CN(CC3=CC=CC=C31)CCO
InChI
InChI=1S/C18H21NO/c20-12-11-19-13-17-7-3-1-5-15(17)9-10-16-6-2-4-8-18(16)14-19/h1-8,20H,9-14H2
InChIKey
RHSFACGWDHFCDY-UHFFFAOYSA-N
Compound name
2-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 194.6
[M+Na]+ 290.15154 192.8
[M-H]- 266.15504 193.1
[M+NH4]+ 285.19614 193.3
[M+K]+ 306.12548 192.3
[M+H-H2O]+ 250.15958 184.6
[M+HCOO]- 312.16052 194.0
[M+CH3COO]- 326.17617 194.6
[M+Na-2H]- 288.13699 195.6
[M]+ 267.16177 193.5
[M]- 267.16287 193.5
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.