CID 491965

N-(4-chlorobenzyl)-2-[(1r)-1-hydroxyethyl]-8-(4-morpholinylmethyl)-6-oxo-6h-pyrrolo[3,2,1-ij]quinoline-5-carboxamide

Structural Information

Molecular Formula
C26H26ClN3O4
SMILES
C[C@H](C1=CC2=C3N1C=C(C(=O)C3=CC(=C2)CN4CCOCC4)C(=O)NCC5=CC=C(C=C5)Cl)O
InChI
InChI=1S/C26H26ClN3O4/c1-16(31)23-12-19-10-18(14-29-6-8-34-9-7-29)11-21-24(19)30(23)15-22(25(21)32)26(33)28-13-17-2-4-20(27)5-3-17/h2-5,10-12,15-16,31H,6-9,13-14H2,1H3,(H,28,33)/t16-/m1/s1
InChIKey
QIGTYYHIVWZKAC-MRXNPFEDSA-N
Compound name
N-[(4-chlorophenyl)methyl]-2-[(1R)-1-hydroxyethyl]-6-(morpholin-4-ylmethyl)-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7,10-pentaene-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

479.1612 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.16848 214.9
[M+Na]+ 502.15042 221.8
[M-H]- 478.15392 222.4
[M+NH4]+ 497.19502 222.1
[M+K]+ 518.12436 215.9
[M+H-H2O]+ 462.15846 204.5
[M+HCOO]- 524.15940 223.9
[M+CH3COO]- 538.17505 222.1
[M+Na-2H]- 500.13587 214.3
[M]+ 479.16065 219.6
[M]- 479.16175 219.6
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