CID 26190

Bs-29

Structural Information

Molecular Formula
C15H18N2O
SMILES
CC(C(C1=CC=CC=C1)O)NCC2=CN=CC=C2
InChI
InChI=1S/C15H18N2O/c1-12(15(18)14-7-3-2-4-8-14)17-11-13-6-5-9-16-10-13/h2-10,12,15,17-18H,11H2,1H3
InChIKey
HVBNBCDMXPLQKK-UHFFFAOYSA-N
Compound name
1-phenyl-2-(pyridin-3-ylmethylamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 157.7
[M+Na]+ 265.13112 170.2
[M+NH4]+ 260.17572 165.6
[M+K]+ 281.10506 163.2
[M-H]- 241.13462 161.7
[M+Na-2H]- 263.11657 166.6
[M]+ 242.14135 160.5
[M]- 242.14245 160.5
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.