CID 472146

N-benzyl-n-(1h-indol-3-ylmethyl)formamide

Structural Information

Molecular Formula
C17H16N2O
SMILES
C1=CC=C(C=C1)CN(CC2=CNC3=CC=CC=C32)C=O
InChI
InChI=1S/C17H16N2O/c20-13-19(11-14-6-2-1-3-7-14)12-15-10-18-17-9-5-4-8-16(15)17/h1-10,13,18H,11-12H2
InChIKey
WKNAUKGKRMFZAP-UHFFFAOYSA-N
Compound name
N-benzyl-N-(1H-indol-3-ylmethyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.12625 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 159.8
[M+Na]+ 287.11547 167.4
[M-H]- 263.11897 166.2
[M+NH4]+ 282.16007 177.1
[M+K]+ 303.08941 162.2
[M+H-H2O]+ 247.12351 151.2
[M+HCOO]- 309.12445 184.3
[M+CH3COO]- 323.14010 172.0
[M+Na-2H]- 285.10092 166.2
[M]+ 264.12570 161.2
[M]- 264.12680 161.2
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

No patent data available for this compound.