CID 9570528

Brn 1162975

Structural Information

Molecular Formula
C19H19N3O3
SMILES
C1CC2=C(C=CC=N2)/C(=N\OC(=O)N3CCOCC3)/C4=CC=CC=C41
InChI
InChI=1S/C19H19N3O3/c23-19(22-10-12-24-13-11-22)25-21-18-15-5-2-1-4-14(15)7-8-17-16(18)6-3-9-20-17/h1-6,9H,7-8,10-13H2/b21-18-
InChIKey
MSACCZVXAZWMJY-UZYVYHOESA-N
Compound name
[(Z)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylideneamino] morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.14264 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 182.4
[M+Na]+ 360.13186 193.4
[M+NH4]+ 355.17646 189.1
[M+K]+ 376.10580 187.4
[M-H]- 336.13536 187.3
[M+Na-2H]- 358.11731 187.5
[M]+ 337.14209 185.2
[M]- 337.14319 185.2
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.