CID 3075793

128857-35-2

Structural Information

Molecular Formula
C24H31N3O
SMILES
CC1C2=C(CCN1CC(CNC(C)CC3=CC=CC=C3)O)C4=CC=CC=C4N2
InChI
InChI=1S/C24H31N3O/c1-17(14-19-8-4-3-5-9-19)25-15-20(28)16-27-13-12-22-21-10-6-7-11-23(21)26-24(22)18(27)2/h3-11,17-18,20,25-26,28H,12-16H2,1-2H3
InChIKey
NACMPXBOIUDESV-UHFFFAOYSA-N
Compound name
1-(1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-3-(1-phenylpropan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.2467 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.25398 193.3
[M+Na]+ 400.23592 197.1
[M-H]- 376.23942 195.5
[M+NH4]+ 395.28052 204.3
[M+K]+ 416.20986 189.7
[M+H-H2O]+ 360.24396 183.6
[M+HCOO]- 422.24490 206.5
[M+CH3COO]- 436.26055 200.2
[M+Na-2H]- 398.22137 193.7
[M]+ 377.24615 190.7
[M]- 377.24725 190.7
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.