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

31
Patents

349.17902 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 184.6
[M+Na]+ 372.16824 191.9
[M-H]- 348.17174 192.4
[M+NH4]+ 367.21284 199.3
[M+K]+ 388.14218 186.9
[M+H-H2O]+ 332.17628 174.9
[M+HCOO]- 394.17722 210.6
[M+CH3COO]- 408.19287 220.6
[M+Na-2H]- 370.15369 188.5
[M]+ 349.17847 189.8
[M]- 349.17957 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.