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 189.0
[M+Na]+ 404.09029 198.9
[M-H]- 380.09379 189.2
[M+NH4]+ 399.13489 202.6
[M+K]+ 420.06423 191.3
[M+H-H2O]+ 364.09833 182.9
[M+HCOO]- 426.09927 195.8
[M+CH3COO]- 440.11492 215.6
[M+Na-2H]- 402.07574 192.3
[M]+ 381.10052 195.0
[M]- 381.10162 195.0
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

No patent data available for this compound.