CID 367736

Nsc637675

Structural Information

Molecular Formula
C19H14ClN5O3S
SMILES
CC1=C(SC(=N1)NC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC4=C3C(=O)NNC4=O
InChI
InChI=1S/C19H14ClN5O3S/c1-9-15(29-19(21-9)22-11-7-5-10(20)6-8-11)18(28)23-13-4-2-3-12-14(13)17(27)25-24-16(12)26/h2-8H,1H3,(H,21,22)(H,23,28)(H,24,26)(H,25,27)
InChIKey
LZDPIGUMKFXQTJ-UHFFFAOYSA-N
Compound name
2-(4-chloroanilino)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-4-methyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.0506 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.05788 194.7
[M+Na]+ 450.03982 206.2
[M-H]- 426.04332 201.0
[M+NH4]+ 445.08442 203.2
[M+K]+ 466.01376 196.9
[M+H-H2O]+ 410.04786 186.5
[M+HCOO]- 472.04880 206.3
[M+CH3COO]- 486.06445 203.9
[M+Na-2H]- 448.02527 196.9
[M]+ 427.05005 199.2
[M]- 427.05115 199.2
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.