CID 9620785

N'-(9-anthrylmethylene)-2-((4-chlorobenzyl)oxy)benzohydrazide

Structural Information

Molecular Formula
C29H21ClN2O2
SMILES
C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)C4=CC=CC=C4OCC5=CC=C(C=C5)Cl
InChI
InChI=1S/C29H21ClN2O2/c30-23-15-13-20(14-16-23)19-34-28-12-6-5-11-26(28)29(33)32-31-18-27-24-9-3-1-7-21(24)17-22-8-2-4-10-25(22)27/h1-18H,19H2,(H,32,33)/b31-18+
InChIKey
WERBUSTUZXTZBQ-FDAWAROLSA-N
Compound name
N-[(E)-anthracen-9-ylmethylideneamino]-2-[(4-chlorophenyl)methoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.12915 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.13643 212.8
[M+Na]+ 487.11837 220.6
[M-H]- 463.12187 224.5
[M+NH4]+ 482.16297 223.0
[M+K]+ 503.09231 212.2
[M+H-H2O]+ 447.12641 200.9
[M+HCOO]- 509.12735 232.0
[M+CH3COO]- 523.14300 221.6
[M+Na-2H]- 485.10382 218.9
[M]+ 464.12860 217.9
[M]- 464.12970 217.9
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.