CID 73814

5-benzyloxygramine

Structural Information

Molecular Formula
C18H20N2O
SMILES
CN(C)CC1=CNC2=C1C=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-9-8-16(10-17(15)18)21-13-14-6-4-3-5-7-14/h3-11,19H,12-13H2,1-2H3
InChIKey
POTVAILTNPOQJH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

135
Patents

280.15756 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 165.6
[M+Na]+ 303.14678 173.4
[M-H]- 279.15028 172.3
[M+NH4]+ 298.19138 182.8
[M+K]+ 319.12072 168.6
[M+H-H2O]+ 263.15482 157.1
[M+HCOO]- 325.15576 189.6
[M+CH3COO]- 339.17141 177.7
[M+Na-2H]- 301.13223 170.8
[M]+ 280.15701 168.5
[M]- 280.15811 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