CID 36688

34137-60-5

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CN(C)CCOC(=O)C1C2=C(CCC3=CC=CC=C13)N=CC=C2
InChI
InChI=1S/C19H22N2O2/c1-21(2)12-13-23-19(22)18-15-7-4-3-6-14(15)9-10-17-16(18)8-5-11-20-17/h3-8,11,18H,9-10,12-13H2,1-2H3
InChIKey
RSQNNOVYZHXXIQ-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.16812 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.175396 171.1
[M+Na]+ 333.157338 176.1
[M-H]- 309.160844 177.1
[M+NH4]+ 328.201943 186.0
[M+K]+ 349.131278 177.3
[M+H-H2O]+ 293.165380 163.9
[M+HCOO]- 355.166321 190.0
[M+CH3COO]- 369.181971 213.3
[M+Na-2H]- 331.142786 176.3
[M]+ 310.16757142 170.8
[M]- 310.16866858 170.8
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.