CID 3075791

128857-34-1

Structural Information

Molecular Formula
C19H29N3O
SMILES
CC1C2=C(CCN1CC(CNC(C)(C)C)O)C3=CC=CC=C3N2
InChI
InChI=1S/C19H29N3O/c1-13-18-16(15-7-5-6-8-17(15)21-18)9-10-22(13)12-14(23)11-20-19(2,3)4/h5-8,13-14,20-21,23H,9-12H2,1-4H3
InChIKey
PWIWLGPNHZMDPL-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.23105 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.238326 180.4
[M+Na]+ 338.220268 186.1
[M-H]- 314.223774 180.1
[M+NH4]+ 333.264873 195.0
[M+K]+ 354.194208 180.4
[M+H-H2O]+ 298.228310 173.1
[M+HCOO]- 360.229251 193.4
[M+CH3COO]- 374.244901 208.2
[M+Na-2H]- 336.205716 183.0
[M]+ 315.23050142 178.8
[M]- 315.23159858 178.8
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.