CID 154699623

Ns00117378

Structural Information

Molecular Formula
C18H16Cl2N2O3
SMILES
CC1(COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl)O
InChI
InChI=1S/C18H16Cl2N2O3/c1-17(24)10-25-18(12-4-2-3-5-14(12)20)13-8-11(19)6-7-15(13)21-16(23)9-22(17)18/h2-8,24H,9-10H2,1H3,(H,21,23)
InChIKey
GTJGDTCEGHHUKM-UHFFFAOYSA-N
Compound name
10-chloro-11b-(2-chlorophenyl)-3-hydroxy-3-methyl-5,7-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.0538 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.06108 182.6
[M+Na]+ 401.04302 194.5
[M-H]- 377.04652 187.4
[M+NH4]+ 396.08762 197.9
[M+K]+ 417.01696 190.5
[M+H-H2O]+ 361.05106 174.2
[M+HCOO]- 423.05200 186.8
[M+CH3COO]- 437.06765 192.1
[M+Na-2H]- 399.02847 185.5
[M]+ 378.05325 181.4
[M]- 378.05435 181.4
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.