CID 3071292

5-(3-sec-butylamino-2-hydroxypropoxy)pyrido(3,4-b)indole

Structural Information

Molecular Formula
C18H23N3O2
SMILES
CCC(C)NCC(COC1=C2C3=CC=CC=C3NC2=CN=C1)O
InChI
InChI=1S/C18H23N3O2/c1-3-12(2)20-8-13(22)11-23-17-10-19-9-16-18(17)14-6-4-5-7-15(14)21-16/h4-7,9-10,12-13,20-22H,3,8,11H2,1-2H3
InChIKey
QLOXFEQUQGTNFR-UHFFFAOYSA-N
Compound name
1-(butan-2-ylamino)-3-(9H-pyrido[3,4-b]indol-4-yloxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.17902 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.18630 174.2
[M+Na]+ 336.16824 180.5
[M-H]- 312.17174 174.3
[M+NH4]+ 331.21284 188.3
[M+K]+ 352.14218 175.2
[M+H-H2O]+ 296.17628 166.0
[M+HCOO]- 358.17722 191.4
[M+CH3COO]- 372.19287 206.5
[M+Na-2H]- 334.15369 178.3
[M]+ 313.17847 176.1
[M]- 313.17957 176.1
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.