CID 465117

Azepino[3,4,5-hi]benz[b]indolizine-4a(5h)-methanol, 1,2,3,4,6,7-hexahydro-

Structural Information

Molecular Formula
C16H20N2O
SMILES
C1CC2(CNCCC3=C2N(C1)C4=CC=CC=C34)CO
InChI
InChI=1S/C16H20N2O/c19-11-16-7-3-9-18-14-5-2-1-4-12(14)13(15(16)18)6-8-17-10-16/h1-2,4-5,17,19H,3,6-11H2
InChIKey
NVDUWKGXFRQYCD-UHFFFAOYSA-N
Compound name
1,7-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-10(17),11,13,15-tetraen-5-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

256.15756 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 160.7
[M+Na]+ 279.14678 167.8
[M-H]- 255.15028 162.4
[M+NH4]+ 274.19138 179.7
[M+K]+ 295.12072 163.6
[M+H-H2O]+ 239.15482 153.6
[M+HCOO]- 301.15576 173.5
[M+CH3COO]- 315.17141 170.5
[M+Na-2H]- 277.13223 166.7
[M]+ 256.15701 154.9
[M]- 256.15811 154.9
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.