CID 135429969

Nsc628602

Structural Information

Molecular Formula
C18H18N4O4
SMILES
C1=CC=C(C(=C1)/C=N/NC(=O)CCC(=O)N/N=C/C2=CC=CC=C2O)O
InChI
InChI=1S/C18H18N4O4/c23-15-7-3-1-5-13(15)11-19-21-17(25)9-10-18(26)22-20-12-14-6-2-4-8-16(14)24/h1-8,11-12,23-24H,9-10H2,(H,21,25)(H,22,26)/b19-11+,20-12+
InChIKey
IKQDBMRHCBEHHH-AYKLPDECSA-N
Compound name
N,N'-bis[(E)-(2-hydroxyphenyl)methylideneamino]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1328 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14008 180.8
[M+Na]+ 377.12202 184.2
[M-H]- 353.12552 187.1
[M+NH4]+ 372.16662 191.7
[M+K]+ 393.09596 181.0
[M+H-H2O]+ 337.13006 170.9
[M+HCOO]- 399.13100 207.4
[M+CH3COO]- 413.14665 221.6
[M+Na-2H]- 375.10747 184.8
[M]+ 354.13225 180.4
[M]- 354.13335 180.4
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.