CID 472147

N-[(4-chlorophenyl)methyl]-n-(1h-indol-3-ylmethyl)formamide

Structural Information

Molecular Formula
C17H15ClN2O
SMILES
C1=CC=C2C(=C1)C(=CN2)CN(CC3=CC=C(C=C3)Cl)C=O
InChI
InChI=1S/C17H15ClN2O/c18-15-7-5-13(6-8-15)10-20(12-21)11-14-9-19-17-4-2-1-3-16(14)17/h1-9,12,19H,10-11H2
InChIKey
CJAGFNSTTAOATB-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-N-(1H-indol-3-ylmethyl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.08728 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.09456 167.9
[M+Na]+ 321.07650 177.2
[M-H]- 297.08000 174.3
[M+NH4]+ 316.12110 185.0
[M+K]+ 337.05044 170.3
[M+H-H2O]+ 281.08454 159.9
[M+HCOO]- 343.08548 187.7
[M+CH3COO]- 357.10113 179.9
[M+Na-2H]- 319.06195 172.9
[M]+ 298.08673 171.9
[M]- 298.08783 171.9
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.