CID 3060443

78123-16-7

Structural Information

Molecular Formula
C18H19N3O
SMILES
CC1=C(C2=CC=CC=C2N1)CC(=O)NNCC3=CC=CC=C3
InChI
InChI=1S/C18H19N3O/c1-13-16(15-9-5-6-10-17(15)20-13)11-18(22)21-19-12-14-7-3-2-4-8-14/h2-10,19-20H,11-12H2,1H3,(H,21,22)
InChIKey
OIFSAWMMKWNGHG-UHFFFAOYSA-N
Compound name
N'-benzyl-2-(2-methyl-1H-indol-3-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1528 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.160076 167.2
[M+Na]+ 316.142018 174.0
[M-H]- 292.145524 172.5
[M+NH4]+ 311.186623 182.8
[M+K]+ 332.115958 167.9
[M+H-H2O]+ 276.150060 158.8
[M+HCOO]- 338.151001 191.0
[M+CH3COO]- 352.166651 178.2
[M+Na-2H]- 314.127466 172.8
[M]+ 293.15225142 166.9
[M]- 293.15334858 166.9
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

No patent data available for this compound.