CID 892769

Aldehyde resin

Structural Information

Molecular Formula
C18H16N2O2
SMILES
C1=CC=C(C=C1)CNC(=O)CN2C=C(C3=CC=CC=C32)C=O
InChI
InChI=1S/C18H16N2O2/c21-13-15-11-20(17-9-5-4-8-16(15)17)12-18(22)19-10-14-6-2-1-3-7-14/h1-9,11,13H,10,12H2,(H,19,22)
InChIKey
RCHKEJKUUXXBSM-UHFFFAOYSA-N
Compound name
N-benzyl-2-(3-formylindol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

11160
Patents

292.1212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.128476 167.2
[M+Na]+ 315.110418 175.4
[M-H]- 291.113924 173.9
[M+NH4]+ 310.155023 183.6
[M+K]+ 331.084358 170.1
[M+H-H2O]+ 275.118460 158.6
[M+HCOO]- 337.119401 191.7
[M+CH3COO]- 351.135051 203.7
[M+Na-2H]- 313.095866 172.4
[M]+ 292.12065142 169.9
[M]- 292.12174858 169.9
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

patents stripe