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

808
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

patents stripe