CID 9947954

Pf9601n

Structural Information

Molecular Formula
C19H18N2O
SMILES
C#CCNCC1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O/c1-2-10-20-13-17-11-16-12-18(8-9-19(16)21-17)22-14-15-6-4-3-5-7-15/h1,3-9,11-12,20-21H,10,13-14H2
InChIKey
YFPNAYXYKXAKJC-UHFFFAOYSA-N
Compound name
N-[(5-phenylmethoxy-1H-indol-2-yl)methyl]prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

1
Patents

290.1419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14918 173.3
[M+Na]+ 313.13112 183.6
[M-H]- 289.13462 175.2
[M+NH4]+ 308.17572 187.0
[M+K]+ 329.10506 173.6
[M+H-H2O]+ 273.13916 158.6
[M+HCOO]- 335.14010 190.1
[M+CH3COO]- 349.15575 182.2
[M+Na-2H]- 311.11657 176.6
[M]+ 290.14135 168.5
[M]- 290.14245 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe