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]+ 316.23833 178.2
[M+Na]+ 338.22027 188.2
[M+NH4]+ 333.26487 185.2
[M+K]+ 354.19421 184.0
[M-H]- 314.22377 178.9
[M+Na-2H]- 336.20572 180.6
[M]+ 315.23050 179.6
[M]- 315.23160 179.6
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.