CID 3071294

87603-36-9

Structural Information

Molecular Formula
C18H21Cl2N3O2
SMILES
CC(C)(C)NCC(COC1=C2C3=CC(=C(C=C3NC2=CN=C1)Cl)Cl)O
InChI
InChI=1S/C18H21Cl2N3O2/c1-18(2,3)22-6-10(24)9-25-16-8-21-7-15-17(16)11-4-12(19)13(20)5-14(11)23-15/h4-5,7-8,10,22-24H,6,9H2,1-3H3
InChIKey
IVZZFTGHCLWQMF-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[(6,7-dichloro-9H-pyrido[3,4-b]indol-4-yl)oxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.10107 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.10835 188.2
[M+Na]+ 404.09029 201.5
[M+NH4]+ 399.13489 195.2
[M+K]+ 420.06423 195.9
[M-H]- 380.09379 188.8
[M+Na-2H]- 402.07574 191.8
[M]+ 381.10052 190.8
[M]- 381.10162 190.8
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.