CID 388045

Nsc682506

Structural Information

Molecular Formula
C23H26ClN3O4
SMILES
CN(C)C1=CC2=C(C=C1)C(CN2C(=O)C3=CC4=CC(=C(C(=C4N3)OC)OC)OC)CCl
InChI
InChI=1S/C23H26ClN3O4/c1-26(2)15-6-7-16-14(11-24)12-27(18(16)10-15)23(28)17-8-13-9-19(29-3)21(30-4)22(31-5)20(13)25-17/h6-10,14,25H,11-12H2,1-5H3
InChIKey
JCTJPWQWAMFGAX-UHFFFAOYSA-N
Compound name
[3-(chloromethyl)-6-(dimethylamino)-2,3-dihydroindol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.1612 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.16848 207.5
[M+Na]+ 466.15042 217.2
[M-H]- 442.15392 214.8
[M+NH4]+ 461.19502 220.9
[M+K]+ 482.12436 212.2
[M+H-H2O]+ 426.15846 199.7
[M+HCOO]- 488.15940 222.2
[M+CH3COO]- 502.17505 234.8
[M+Na-2H]- 464.13587 204.3
[M]+ 443.16065 217.8
[M]- 443.16175 217.8
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.