CID 35775

Zolazepam

Structural Information

Molecular Formula
C15H15FN4O
SMILES
CC1=NN(C2=C1C(=NCC(=O)N2C)C3=CC=CC=C3F)C
InChI
InChI=1S/C15H15FN4O/c1-9-13-14(10-6-4-5-7-11(10)16)17-8-12(21)19(2)15(13)20(3)18-9/h4-7H,8H2,1-3H3
InChIKey
GDSCFOSHSOWNDL-UHFFFAOYSA-N
Compound name
4-(2-fluorophenyl)-1,3,8-trimethyl-6H-pyrazolo[5,4-e][1,4]diazepin-7-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

420
References

8751
Patents

286.123 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.130276 164.0
[M+Na]+ 309.112218 175.3
[M-H]- 285.115724 167.8
[M+NH4]+ 304.156823 177.3
[M+K]+ 325.086158 173.7
[M+H-H2O]+ 269.120260 153.0
[M+HCOO]- 331.121201 180.7
[M+CH3COO]- 345.136851 175.2
[M+Na-2H]- 307.097666 165.4
[M]+ 286.12245142 162.7
[M]- 286.12354858 162.7
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