CID 135743701

1048973-47-2

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CCCCCCN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H23N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h5-9,11-14,26H,2-4,10,15H2,1H3
InChIKey
ICNRTDOKKSWDRL-UHFFFAOYSA-N
Compound name
N-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

33
Patents

349.17902 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.186296 184.6
[M+Na]+ 372.168238 191.9
[M-H]- 348.171744 192.4
[M+NH4]+ 367.212843 199.3
[M+K]+ 388.142178 186.9
[M+H-H2O]+ 332.176280 174.9
[M+HCOO]- 394.177221 210.6
[M+CH3COO]- 408.192871 220.6
[M+Na-2H]- 370.153686 188.5
[M]+ 349.17847142 189.8
[M]- 349.17956858 189.8
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