CID 241689

Mls002667267

Structural Information

Molecular Formula
C20H22N4O4
SMILES
C1=CC=C(C(=C1)C=NNC(=O)CCCCC(=O)NN=CC2=CC=CC=C2O)O
InChI
InChI=1S/C20H22N4O4/c25-17-9-3-1-7-15(17)13-21-23-19(27)11-5-6-12-20(28)24-22-14-16-8-2-4-10-18(16)26/h1-4,7-10,13-14,25-26H,5-6,11-12H2,(H,23,27)(H,24,28)
InChIKey
JLZRXDKIRXEOIZ-UHFFFAOYSA-N
Compound name
N,N'-bis[(2-hydroxyphenyl)methylideneamino]hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

382.1641 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.17138 189.4
[M+Na]+ 405.15332 191.9
[M-H]- 381.15682 195.3
[M+NH4]+ 400.19792 199.2
[M+K]+ 421.12726 188.3
[M+H-H2O]+ 365.16136 179.1
[M+HCOO]- 427.16230 215.3
[M+CH3COO]- 441.17795 227.6
[M+Na-2H]- 403.13877 192.5
[M]+ 382.16355 189.6
[M]- 382.16465 189.6
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