CID 2816

Cloxazolam

Structural Information

Molecular Formula
C17H14Cl2N2O2
SMILES
C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
InChI
InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)
InChIKey
ZIXNZOBDFKSQTC-UHFFFAOYSA-N
Compound name
10-chloro-11b-(2-chlorophenyl)-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

32
References

3818
Patents

348.04324 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05052 176.8
[M+Na]+ 371.03246 188.0
[M-H]- 347.03596 182.2
[M+NH4]+ 366.07706 191.8
[M+K]+ 387.00640 184.0
[M+H-H2O]+ 331.04050 168.1
[M+HCOO]- 393.04144 182.5
[M+CH3COO]- 407.05709 186.7
[M+Na-2H]- 369.01791 179.8
[M]+ 348.04269 174.9
[M]- 348.04379 174.9
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