CID 32489

Lm 2927

Structural Information

Molecular Formula
C21H22N2O2
SMILES
C1COCCN1CCON=C2C3=CC=CC=C3C=CC4=CC=CC=C42
InChI
InChI=1S/C21H22N2O2/c1-3-7-19-17(5-1)9-10-18-6-2-4-8-20(18)21(19)22-25-16-13-23-11-14-24-15-12-23/h1-10H,11-16H2
InChIKey
SXSIETVXGBIAJH-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethoxy)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16812 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 178.5
[M+Na]+ 357.15734 183.8
[M-H]- 333.16084 187.5
[M+NH4]+ 352.20194 190.7
[M+K]+ 373.13128 183.7
[M+H-H2O]+ 317.16538 169.7
[M+HCOO]- 379.16632 197.4
[M+CH3COO]- 393.18197 188.4
[M+Na-2H]- 355.14279 186.1
[M]+ 334.16757 176.4
[M]- 334.16867 176.4
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.