CID 3039372

(+-)-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5,10-imine-12-ethanol

Structural Information

Molecular Formula
C17H17NO
SMILES
C1C2C3=CC=CC=C3C(N2CCO)C4=CC=CC=C41
InChI
InChI=1S/C17H17NO/c19-10-9-18-16-11-12-5-1-2-6-13(12)17(18)15-8-4-3-7-14(15)16/h1-8,16-17,19H,9-11H2
InChIKey
ZICXADCUXFAAOU-UHFFFAOYSA-N
Compound name
2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-16-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

251.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13829 156.6
[M+Na]+ 274.12023 165.0
[M-H]- 250.12373 158.6
[M+NH4]+ 269.16483 177.4
[M+K]+ 290.09417 158.7
[M+H-H2O]+ 234.12827 149.6
[M+HCOO]- 296.12921 172.8
[M+CH3COO]- 310.14486 168.0
[M+Na-2H]- 272.10568 163.0
[M]+ 251.13046 156.4
[M]- 251.13156 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe