CID 154699734

Ns00117473

Structural Information

Molecular Formula
C17H18N2O
SMILES
C1CN2[C@@H](CN1)C3=CC=CC=C3CC4=C2C=C(C=C4)O
InChI
InChI=1S/C17H18N2O/c20-14-6-5-13-9-12-3-1-2-4-15(12)17-11-18-7-8-19(17)16(13)10-14/h1-6,10,17-18,20H,7-9,11H2/t17-/m0/s1
InChIKey
KDLZTAPNHXUVCE-KRWDZBQOSA-N
Compound name
(7R)-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-18-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1419 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.14918 160.2
[M+Na]+ 289.13112 166.7
[M-H]- 265.13462 162.1
[M+NH4]+ 284.17572 175.0
[M+K]+ 305.10506 163.5
[M+H-H2O]+ 249.13916 153.1
[M+HCOO]- 311.14010 171.8
[M+CH3COO]- 325.15575 169.4
[M+Na-2H]- 287.11657 167.1
[M]+ 266.14135 152.4
[M]- 266.14245 152.4
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

No patent data available for this compound.