CID 3398

Flutazolam

Structural Information

Molecular Formula
C19H18ClFN2O3
SMILES
C1COC2(N1CC(=O)N(C3=C2C=C(C=C3)Cl)CCO)C4=CC=CC=C4F
InChI
InChI=1S/C19H18ClFN2O3/c20-13-5-6-17-15(11-13)19(14-3-1-2-4-16(14)21)22(8-10-26-19)12-18(25)23(17)7-9-24/h1-6,11,24H,7-10,12H2
InChIKey
WMFSSTNVXWNLKI-UHFFFAOYSA-N
Compound name
10-chloro-11b-(2-fluorophenyl)-7-(2-hydroxyethyl)-3,5-dihydro-2H-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

1644
Patents

376.099 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10628 184.0
[M+Na]+ 399.08822 194.0
[M-H]- 375.09172 189.2
[M+NH4]+ 394.13282 197.6
[M+K]+ 415.06216 191.1
[M+H-H2O]+ 359.09626 174.7
[M+HCOO]- 421.09720 192.9
[M+CH3COO]- 435.11285 193.5
[M+Na-2H]- 397.07367 185.8
[M]+ 376.09845 182.5
[M]- 376.09955 182.5
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