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]+ 335.175396 178.5
[M+Na]+ 357.157338 183.8
[M-H]- 333.160844 187.5
[M+NH4]+ 352.201943 190.7
[M+K]+ 373.131278 183.7
[M+H-H2O]+ 317.165380 169.7
[M+HCOO]- 379.166321 197.4
[M+CH3COO]- 393.181971 188.4
[M+Na-2H]- 355.142786 186.1
[M]+ 334.16757142 176.4
[M]- 334.16866858 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.