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]+ 311.17540 171.1
[M+Na]+ 333.15734 176.1
[M-H]- 309.16084 177.1
[M+NH4]+ 328.20194 186.0
[M+K]+ 349.13128 177.3
[M+H-H2O]+ 293.16538 163.9
[M+HCOO]- 355.16632 190.0
[M+CH3COO]- 369.18197 213.3
[M+Na-2H]- 331.14279 176.3
[M]+ 310.16757 170.8
[M]- 310.16867 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.