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]+ 267.149176 160.2
[M+Na]+ 289.131118 166.7
[M-H]- 265.134624 162.1
[M+NH4]+ 284.175723 175.0
[M+K]+ 305.105058 163.5
[M+H-H2O]+ 249.139160 153.1
[M+HCOO]- 311.140101 171.8
[M+CH3COO]- 325.155751 169.4
[M+Na-2H]- 287.116566 167.1
[M]+ 266.14135142 152.4
[M]- 266.14244858 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.