CID 37349

36040-20-7

Structural Information

Molecular Formula
C18H21ClN2O
SMILES
CN(C)CCOC1C2=C(CCC3=C1C=C(C=C3)Cl)N=CC=C2
InChI
InChI=1S/C18H21ClN2O/c1-21(2)10-11-22-18-15-4-3-9-20-17(15)8-6-13-5-7-14(19)12-16(13)18/h3-5,7,9,12,18H,6,8,10-11H2,1-2H3
InChIKey
VPUNWXDOMVCRAB-UHFFFAOYSA-N
Compound name
2-[(14-chloro-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)oxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13425 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14153 171.2
[M+Na]+ 339.12347 179.1
[M-H]- 315.12697 177.1
[M+NH4]+ 334.16807 187.3
[M+K]+ 355.09741 178.3
[M+H-H2O]+ 299.13151 164.1
[M+HCOO]- 361.13245 186.7
[M+CH3COO]- 375.14810 182.2
[M+Na-2H]- 337.10892 176.8
[M]+ 316.13370 172.9
[M]- 316.13480 172.9
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.