CID 3053757

70384-95-1

Structural Information

Molecular Formula
C18H21ClN2O4
SMILES
CCOC(=O)N1C(=O)CC2C3C1(CCN(C3)C)OC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C18H21ClN2O4/c1-3-24-17(23)21-16(22)9-12-13-8-11(19)4-5-15(13)25-18(21)6-7-20(2)10-14(12)18/h4-5,8,12,14H,3,6-7,9-10H2,1-2H3
InChIKey
FGNCXBKOHGQMPA-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-12-methyl-16-oxo-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-triene-15-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.119 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.12628 183.0
[M+Na]+ 387.10822 190.5
[M-H]- 363.11172 186.2
[M+NH4]+ 382.15282 197.0
[M+K]+ 403.08216 187.0
[M+H-H2O]+ 347.11626 173.8
[M+HCOO]- 409.11720 187.5
[M+CH3COO]- 423.13285 191.8
[M+Na-2H]- 385.09367 185.8
[M]+ 364.11845 184.2
[M]- 364.11955 184.2
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.