CID 214748

Brn 0427143

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CCOC(=O)NC1C2=C(CCC3=CC=CC=C13)N=CC=C2
InChI
InChI=1S/C17H18N2O2/c1-2-21-17(20)19-16-13-7-4-3-6-12(13)9-10-15-14(16)8-5-11-18-15/h3-8,11,16H,2,9-10H2,1H3,(H,19,20)
InChIKey
JHFNPOKNFLVLFL-UHFFFAOYSA-N
Compound name
ethyl N-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.13684 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 163.0
[M+Na]+ 305.12606 168.8
[M-H]- 281.12956 168.0
[M+NH4]+ 300.17066 178.5
[M+K]+ 321.10000 169.2
[M+H-H2O]+ 265.13410 156.3
[M+HCOO]- 327.13504 182.1
[M+CH3COO]- 341.15069 173.7
[M+Na-2H]- 303.11151 169.9
[M]+ 282.13629 160.8
[M]- 282.13739 160.8
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.