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]+ 317.141526 171.2
[M+Na]+ 339.123468 179.1
[M-H]- 315.126974 177.1
[M+NH4]+ 334.168073 187.3
[M+K]+ 355.097408 178.3
[M+H-H2O]+ 299.131510 164.1
[M+HCOO]- 361.132451 186.7
[M+CH3COO]- 375.148101 182.2
[M+Na-2H]- 337.108916 176.8
[M]+ 316.13370142 172.9
[M]- 316.13479858 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.