CID 6299109

Nsc641096

Structural Information

Molecular Formula
C27H22ClN5O5
SMILES
C/C(=N/NC(=O)CC(=O)NC1=CC=C(C=C1)OC)/C2=CC3=C(C=CC(=C3)N=NC4=CC=CC=C4Cl)OC2=O
InChI
InChI=1S/C27H22ClN5O5/c1-16(30-33-26(35)15-25(34)29-18-7-10-20(37-2)11-8-18)21-14-17-13-19(9-12-24(17)38-27(21)36)31-32-23-6-4-3-5-22(23)28/h3-14H,15H2,1-2H3,(H,29,34)(H,33,35)/b30-16-,32-31?
InChIKey
JOMLHMWSUULDLS-PYEMXNLQSA-N
Compound name
N'-[(Z)-1-[6-[(2-chlorophenyl)diazenyl]-2-oxochromen-3-yl]ethylideneamino]-N-(4-methoxyphenyl)propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.1309 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.13818 230.1
[M+Na]+ 554.12012 235.3
[M-H]- 530.12362 244.6
[M+NH4]+ 549.16472 235.6
[M+K]+ 570.09406 233.2
[M+H-H2O]+ 514.12816 217.7
[M+HCOO]- 576.12910 253.2
[M+CH3COO]- 590.14475 263.8
[M+Na-2H]- 552.10557 234.0
[M]+ 531.13035 238.2
[M]- 531.13145 238.2
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.