CID 9885841

Evt-201

Structural Information

Molecular Formula
C17H17ClN6O2
SMILES
CN1CC2=C(N=CN2C3=C(C1=O)C(=CC=C3)Cl)C4=NOC(=N4)CN(C)C
InChI
InChI=1S/C17H17ClN6O2/c1-22(2)8-13-20-16(21-26-13)15-12-7-23(3)17(25)14-10(18)5-4-6-11(14)24(12)9-19-15/h4-6,9H,7-8H2,1-3H3
InChIKey
JCYLWUVDHLVGER-UHFFFAOYSA-N
Compound name
7-chloro-3-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

449
Patents

372.11014 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.11742 187.4
[M+Na]+ 395.09936 200.7
[M-H]- 371.10286 194.6
[M+NH4]+ 390.14396 198.7
[M+K]+ 411.07330 199.4
[M+H-H2O]+ 355.10740 175.3
[M+HCOO]- 417.10834 201.4
[M+CH3COO]- 431.12399 198.2
[M+Na-2H]- 393.08481 188.3
[M]+ 372.10959 193.2
[M]- 372.11069 193.2
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