CID 218672

41148-45-2

Structural Information

Molecular Formula
C18H27N3O3
SMILES
CCN(CC)CCN1C(=O)CC2=CC(=C(C=C2C(=N1)C)OC)OC
InChI
InChI=1S/C18H27N3O3/c1-6-20(7-2)8-9-21-18(22)11-14-10-16(23-4)17(24-5)12-15(14)13(3)19-21/h10,12H,6-9,11H2,1-5H3
InChIKey
UIAGPTVGJWYJJQ-UHFFFAOYSA-N
Compound name
3-[2-(diethylamino)ethyl]-7,8-dimethoxy-1-methyl-5H-2,3-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.20523 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21251 177.3
[M+Na]+ 356.19445 183.8
[M-H]- 332.19795 181.8
[M+NH4]+ 351.23905 190.0
[M+K]+ 372.16839 186.7
[M+H-H2O]+ 316.20249 168.5
[M+HCOO]- 378.20343 196.4
[M+CH3COO]- 392.21908 220.4
[M+Na-2H]- 354.17990 179.2
[M]+ 333.20468 181.5
[M]- 333.20578 181.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.