CID 34207

Brn 1656029

Structural Information

Molecular Formula
C19H23NO
SMILES
C1CC2=CC=CC=C2CN(CC3=CC=CC=C31)CCCO
InChI
InChI=1S/C19H23NO/c21-13-5-12-20-14-18-8-3-1-6-16(18)10-11-17-7-2-4-9-19(17)15-20/h1-4,6-9,21H,5,10-15H2
InChIKey
RYPXFQIRSXWPKS-UHFFFAOYSA-N
Compound name
3-(5,7,12,13-tetrahydrobenzo[d][2]benzazonin-6-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.17798 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 195.0
[M+Na]+ 304.167198 193.1
[M-H]- 280.170704 193.4
[M+NH4]+ 299.211803 193.6
[M+K]+ 320.141138 192.7
[M+H-H2O]+ 264.175240 184.9
[M+HCOO]- 326.176181 194.3
[M+CH3COO]- 340.191831 194.9
[M+Na-2H]- 302.152646 195.9
[M]+ 281.17743142 193.8
[M]- 281.17852858 193.8
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.