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 176.9
[M+Na]+ 360.13186 181.2
[M-H]- 336.13536 184.3
[M+NH4]+ 355.17646 187.4
[M+K]+ 376.10580 182.2
[M+H-H2O]+ 320.13990 166.8
[M+HCOO]- 382.14084 192.0
[M+CH3COO]- 396.15649 185.8
[M+Na-2H]- 358.11731 182.9
[M]+ 337.14209 172.0
[M]- 337.14319 172.0
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.