CID 3058281

4-morpholinecarboxamide, n-(6-chloro-5-(2-fluorophenyl)-2,3-dihydro-1-methyl-2-oxo-1h-1,4-benzodiazepin-7-yl)-

Structural Information

Molecular Formula
C21H20ClFN4O3
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2Cl)NC(=O)N3CCOCC3)C4=CC=CC=C4F
InChI
InChI=1S/C21H20ClFN4O3/c1-26-16-7-6-15(25-21(29)27-8-10-30-11-9-27)19(22)18(16)20(24-12-17(26)28)13-4-2-3-5-14(13)23/h2-7H,8-12H2,1H3,(H,25,29)
InChIKey
SQKFWZPXZMZLSL-UHFFFAOYSA-N
Compound name
N-[6-chloro-5-(2-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-7-yl]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

430.1208 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.12808 201.8
[M+Na]+ 453.11002 209.6
[M-H]- 429.11352 208.3
[M+NH4]+ 448.15462 207.4
[M+K]+ 469.08396 208.8
[M+H-H2O]+ 413.11806 188.7
[M+HCOO]- 475.11900 209.6
[M+CH3COO]- 489.13465 209.1
[M+Na-2H]- 451.09547 202.0
[M]+ 430.12025 198.1
[M]- 430.12135 198.1
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

patents stripe