CID 10461270

Ssr126768a

Structural Information

Molecular Formula
C33H31Cl2N3O4
SMILES
CCN(CC1=CN=CC=C1)C(=O)C2=CC(=C(C=C2)Cl)[C@]3(C4=C(C=CC(=C4)Cl)N(C3=O)CC5=C(C=C(C=C5)OC)OC)C
InChI
InChI=1S/C33H31Cl2N3O4/c1-5-37(19-21-7-6-14-36-18-21)31(39)22-9-12-28(35)26(15-22)33(2)27-16-24(34)10-13-29(27)38(32(33)40)20-23-8-11-25(41-3)17-30(23)42-4/h6-18H,5,19-20H2,1-4H3/t33-/m0/s1
InChIKey
UENRBNCNIZQNTR-XIFFEERXSA-N
Compound name
4-chloro-3-[(3R)-5-chloro-1-[(2,4-dimethoxyphenyl)methyl]-3-methyl-2-oxoindol-3-yl]-N-ethyl-N-(pyridin-3-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

603.1692 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.17648 245.3
[M+Na]+ 626.15842 253.6
[M-H]- 602.16192 256.9
[M+NH4]+ 621.20302 251.3
[M+K]+ 642.13236 246.9
[M+H-H2O]+ 586.16646 232.6
[M+HCOO]- 648.16740 253.6
[M+CH3COO]- 662.18305 251.8
[M+Na-2H]- 624.14387 240.7
[M]+ 603.16865 255.8
[M]- 603.16975 255.8
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.