CID 373478

Nsc649833

Structural Information

Molecular Formula
C23H26N4O5S
SMILES
CCC(CC1C(=O)NC(=O)NC1=O)C(=O)C(CC)C(=O)C(=C)NC2=NC3=C(S2)C=C(C=C3)C
InChI
InChI=1S/C23H26N4O5S/c1-5-13(10-15-20(30)26-22(32)27-21(15)31)19(29)14(6-2)18(28)12(4)24-23-25-16-8-7-11(3)9-17(16)33-23/h7-9,13-15H,4-6,10H2,1-3H3,(H,24,25)(H2,26,27,30,31,32)
InChIKey
JKAPMYLROVCVBF-UHFFFAOYSA-N
Compound name
5-[2,4-diethyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3,5-dioxohept-6-enyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.16238 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.16966 209.4
[M+Na]+ 493.15160 212.8
[M-H]- 469.15510 209.9
[M+NH4]+ 488.19620 214.4
[M+K]+ 509.12554 207.1
[M+H-H2O]+ 453.15964 201.7
[M+HCOO]- 515.16058 214.4
[M+CH3COO]- 529.17623 236.2
[M+Na-2H]- 491.13705 202.0
[M]+ 470.16183 210.1
[M]- 470.16293 210.1
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.