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]+ 265.133526 159.8
[M+Na]+ 287.115468 167.4
[M-H]- 263.118974 166.2
[M+NH4]+ 282.160073 177.1
[M+K]+ 303.089408 162.2
[M+H-H2O]+ 247.123510 151.2
[M+HCOO]- 309.124451 184.3
[M+CH3COO]- 323.140101 172.0
[M+Na-2H]- 285.100916 166.2
[M]+ 264.12570142 161.2
[M]- 264.12679858 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.