CID 260807

7-benzyloxygramine

Structural Information

Molecular Formula
C18H20N2O
SMILES
CN(C)CC1=CNC2=C1C=CC=C2OCC3=CC=CC=C3
InChI
InChI=1S/C18H20N2O/c1-20(2)12-15-11-19-18-16(15)9-6-10-17(18)21-13-14-7-4-3-5-8-14/h3-11,19H,12-13H2,1-2H3
InChIKey
SUZMCIRGERDWMV-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-(7-phenylmethoxy-1H-indol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

280.15756 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.164836 165.6
[M+Na]+ 303.146778 173.4
[M-H]- 279.150284 172.3
[M+NH4]+ 298.191383 182.8
[M+K]+ 319.120718 168.6
[M+H-H2O]+ 263.154820 157.1
[M+HCOO]- 325.155761 189.6
[M+CH3COO]- 339.171411 177.7
[M+Na-2H]- 301.132226 170.8
[M]+ 280.15701142 168.5
[M]- 280.15810858 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

No literature data available for this compound.

Patent stripe

patents stripe