CID 6061754

Nsc647947

Structural Information

Molecular Formula
C19H16ClN5O4
SMILES
C1=CC=C2C(=C1)/C(=N/NC(=O)CC(=O)NC3=CC=CC=C3Cl)/C=C(O2)C(=O)NN
InChI
InChI=1S/C19H16ClN5O4/c20-12-6-2-3-7-13(12)22-17(26)10-18(27)25-24-14-9-16(19(28)23-21)29-15-8-4-1-5-11(14)15/h1-9H,10,21H2,(H,22,26)(H,23,28)(H,25,27)/b24-14+
InChIKey
XRSWXIBXFLBNTO-ZVHZXABRSA-N
Compound name
N-(2-chlorophenyl)-N'-[(E)-[2-(hydrazinecarbonyl)chromen-4-ylidene]amino]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.08908 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.09636 196.1
[M+Na]+ 436.07830 201.5
[M-H]- 412.08180 205.1
[M+NH4]+ 431.12290 205.4
[M+K]+ 452.05224 198.5
[M+H-H2O]+ 396.08634 186.9
[M+HCOO]- 458.08728 217.4
[M+CH3COO]- 472.10293 235.9
[M+Na-2H]- 434.06375 201.1
[M]+ 413.08853 198.3
[M]- 413.08963 198.3
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.