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]+ 257.164836 160.7
[M+Na]+ 279.146778 167.8
[M-H]- 255.150284 162.4
[M+NH4]+ 274.191383 179.7
[M+K]+ 295.120718 163.6
[M+H-H2O]+ 239.154820 153.6
[M+HCOO]- 301.155761 173.5
[M+CH3COO]- 315.171411 170.5
[M+Na-2H]- 277.132226 166.7
[M]+ 256.15701142 154.9
[M]- 256.15810858 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

literature stripe

Patent stripe

No patent data available for this compound.