CID 3071288

5-(3-tert-butylamino-2-hydroxypropoxy)-7,8-methylenedioxypyrido(3,4-b)indole

Structural Information

Molecular Formula
C19H23N3O4
SMILES
CC(C)(C)NCC(COC1=C2C3=CC4=C(C=C3NC2=CN=C1)OCO4)O
InChI
InChI=1S/C19H23N3O4/c1-19(2,3)21-6-11(23)9-24-17-8-20-7-14-18(17)12-4-15-16(26-10-25-15)5-13(12)22-14/h4-5,7-8,11,21-23H,6,9-10H2,1-3H3
InChIKey
KRMZYKZTUQKVMY-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-(12,14-dioxa-5,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15)-hexaen-3-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.16885 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.17613 183.4
[M+Na]+ 380.15807 193.6
[M+NH4]+ 375.20267 189.5
[M+K]+ 396.13201 193.5
[M-H]- 356.16157 185.9
[M+Na-2H]- 378.14352 183.8
[M]+ 357.16830 185.4
[M]- 357.16940 185.4
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.