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]+ 282.18526 195.0
[M+Na]+ 304.16720 193.1
[M-H]- 280.17070 193.4
[M+NH4]+ 299.21180 193.6
[M+K]+ 320.14114 192.7
[M+H-H2O]+ 264.17524 184.9
[M+HCOO]- 326.17618 194.3
[M+CH3COO]- 340.19183 194.9
[M+Na-2H]- 302.15265 195.9
[M]+ 281.17743 193.8
[M]- 281.17853 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.