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
2
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]+ 379.061076 182.6
[M+Na]+ 401.043018 194.5
[M-H]- 377.046524 187.4
[M+NH4]+ 396.087623 197.9
[M+K]+ 417.016958 190.5
[M+H-H2O]+ 361.051060 174.2
[M+HCOO]- 423.052001 186.8
[M+CH3COO]- 437.067651 192.1
[M+Na-2H]- 399.028466 185.5
[M]+ 378.05325142 181.4
[M]- 378.05434858 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.