CID 24856901

Schembl1147097

Structural Information

Molecular Formula
C23H28ClN7O3S
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)NCCCCCCC(=O)NO)C
InChI
InChI=1S/C23H28ClN7O3S/c1-14-8-7-9-16(24)21(14)30-22(33)17-13-26-23(35-17)29-19-12-18(27-15(2)28-19)25-11-6-4-3-5-10-20(32)31-34/h7-9,12-13,34H,3-6,10-11H2,1-2H3,(H,30,33)(H,31,32)(H2,25,26,27,28,29)
InChIKey
UHHSKEMLNIATAI-UHFFFAOYSA-N
Compound name
N-(2-chloro-6-methylphenyl)-2-[[6-[[7-(hydroxyamino)-7-oxoheptyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

517.16626 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 518.17354 221.4
[M+Na]+ 540.15548 229.8
[M+NH4]+ 535.20008 224.4
[M+K]+ 556.12942 224.2
[M-H]- 516.15898 225.2
[M+Na-2H]- 538.14093 226.4
[M]+ 517.16571 223.8
[M]- 517.16681 223.8
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

patents stripe