CID 3078548

121635-60-7

Structural Information

Molecular Formula
C19H27N3O4
SMILES
CCOC(=O)C1CC(N(C2=CC=CC=C2N1)C(=O)CN3CCOCC3)C
InChI
InChI=1S/C19H27N3O4/c1-3-26-19(24)16-12-14(2)22(17-7-5-4-6-15(17)20-16)18(23)13-21-8-10-25-11-9-21/h4-7,14,16,20H,3,8-13H2,1-2H3
InChIKey
JTLWBSMODDNMNF-UHFFFAOYSA-N
Compound name
ethyl 4-methyl-5-(2-morpholin-4-ylacetyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.20016 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.20744 184.9
[M+Na]+ 384.18938 187.0
[M-H]- 360.19288 187.3
[M+NH4]+ 379.23398 191.3
[M+K]+ 400.16332 188.7
[M+H-H2O]+ 344.19742 174.2
[M+HCOO]- 406.19836 192.9
[M+CH3COO]- 420.21401 213.0
[M+Na-2H]- 382.17483 184.3
[M]+ 361.19961 178.9
[M]- 361.20071 178.9
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.