CID 3078545

121635-57-2

Structural Information

Molecular Formula
C19H29N3O3
SMILES
CCN(CC)CC(=O)N1C(CC(NC2=CC=CC=C21)C(=O)OCC)C
InChI
InChI=1S/C19H29N3O3/c1-5-21(6-2)13-18(23)22-14(4)12-16(19(24)25-7-3)20-15-10-8-9-11-17(15)22/h8-11,14,16,20H,5-7,12-13H2,1-4H3
InChIKey
NRFASUNRZJYPRZ-UHFFFAOYSA-N
Compound name
ethyl 5-[2-(diethylamino)acetyl]-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.2209 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.22818 181.2
[M+Na]+ 370.21012 188.3
[M+NH4]+ 365.25472 185.4
[M+K]+ 386.18406 185.1
[M-H]- 346.21362 180.8
[M+Na-2H]- 368.19557 182.7
[M]+ 347.22035 181.7
[M]- 347.22145 181.7
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.