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
1
Annotation Hits

4
References

26
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

literature stripe

Patent stripe

patents stripe