CID 85668777

Erbitux

Structural Information

Molecular Formula
C17H23NO2
SMILES
CC1(C(=C)N(C2=CC=CC=C21)CCCCCC(=O)O)C
InChI
InChI=1S/C17H23NO2/c1-13-17(2,3)14-9-6-7-10-15(14)18(13)12-8-4-5-11-16(19)20/h6-7,9-10H,1,4-5,8,11-12H2,2-3H3,(H,19,20)
InChIKey
LVVRHAVPVOVPGG-UHFFFAOYSA-N
Compound name
6-(3,3-dimethyl-2-methylideneindol-1-yl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9197
References

23
Patents

273.17288 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.18016 166.1
[M+Na]+ 296.16210 174.0
[M-H]- 272.16560 167.8
[M+NH4]+ 291.20670 185.7
[M+K]+ 312.13604 169.2
[M+H-H2O]+ 256.17014 160.3
[M+HCOO]- 318.17108 184.2
[M+CH3COO]- 332.18673 199.3
[M+Na-2H]- 294.14755 167.3
[M]+ 273.17233 168.0
[M]- 273.17343 168.0
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

patents stripe