CID 3050526

Brn 0838489

Structural Information

Molecular Formula
C19H18ClN3O
SMILES
CCOC1=NCCN2C(=NC3=CC(=CC1=C32)Cl)CC4=CC=CC=C4
InChI
InChI=1S/C19H18ClN3O/c1-2-24-19-15-11-14(20)12-16-18(15)23(9-8-21-19)17(22-16)10-13-6-4-3-5-7-13/h3-7,11-12H,2,8-10H2,1H3
InChIKey
YWFGKMSYFAOWCS-UHFFFAOYSA-N
Compound name
2-benzyl-6-chloro-9-ethoxy-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13),9-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.11383 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12111 176.9
[M+Na]+ 362.10305 192.2
[M+NH4]+ 357.14765 185.1
[M+K]+ 378.07699 185.6
[M-H]- 338.10655 180.4
[M+Na-2H]- 360.08850 184.1
[M]+ 339.11328 180.6
[M]- 339.11438 180.6
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.