CID 3053755

70384-92-8

Structural Information

Molecular Formula
C15H17ClN2O2
SMILES
CN1CCC23C(C1)C(CC(=O)N2)C4=C(O3)C=CC(=C4)Cl
InChI
InChI=1S/C15H17ClN2O2/c1-18-5-4-15-12(8-18)10(7-14(19)17-15)11-6-9(16)2-3-13(11)20-15/h2-3,6,10,12H,4-5,7-8H2,1H3,(H,17,19)
InChIKey
MJRPHRMGEKCADU-UHFFFAOYSA-N
Compound name
6-chloro-12-methyl-2-oxa-12,15-diazatetracyclo[7.5.3.01,10.03,8]heptadeca-3(8),4,6-trien-16-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

793
Patents

292.09787 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10515 165.9
[M+Na]+ 315.08709 173.8
[M-H]- 291.09059 167.8
[M+NH4]+ 310.13169 182.1
[M+K]+ 331.06103 168.5
[M+H-H2O]+ 275.09513 157.1
[M+HCOO]- 337.09607 170.4
[M+CH3COO]- 351.11172 175.2
[M+Na-2H]- 313.07254 171.1
[M]+ 292.09732 162.4
[M]- 292.09842 162.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.