CID 11166646

Bi-11634

Structural Information

Molecular Formula
C22H23ClN4O4
SMILES
CC1=C(C=CC(=C1)C(=O)N[C@@H](COC)C2=NC3=C(N2)C=C(C=C3)Cl)N4CCOCC4=O
InChI
InChI=1S/C22H23ClN4O4/c1-13-9-14(3-6-19(13)27-7-8-31-12-20(27)28)22(29)26-18(11-30-2)21-24-16-5-4-15(23)10-17(16)25-21/h3-6,9-10,18H,7-8,11-12H2,1-2H3,(H,24,25)(H,26,29)/t18-/m0/s1
InChIKey
XSHZWZJZXDICAQ-SFHVURJKSA-N
Compound name
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

442.14078 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.14806 203.7
[M+Na]+ 465.13000 217.0
[M+NH4]+ 460.17460 208.7
[M+K]+ 481.10394 212.8
[M-H]- 441.13350 208.4
[M+Na-2H]- 463.11545 208.6
[M]+ 442.14023 207.0
[M]- 442.14133 207.0
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