CID 5272336

Cyclohexanecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-(2-thienylmethyl)-

Structural Information

Molecular Formula
C23H26N4O2S2
SMILES
C1CCC(CC1)C(=O)N(CC2=CC=CS2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C23H26N4O2S2/c24-23-26-20(15-31-23)16-8-10-18(11-9-16)25-21(28)14-27(13-19-7-4-12-30-19)22(29)17-5-2-1-3-6-17/h4,7-12,15,17H,1-3,5-6,13-14H2,(H2,24,26)(H,25,28)
InChIKey
SYPUUBQBFLLQBI-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-(thiophen-2-ylmethyl)cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.14972 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.15700 204.6
[M+Na]+ 477.13894 208.0
[M-H]- 453.14244 216.1
[M+NH4]+ 472.18354 215.2
[M+K]+ 493.11288 202.5
[M+H-H2O]+ 437.14698 196.2
[M+HCOO]- 499.14792 217.8
[M+CH3COO]- 513.16357 212.3
[M+Na-2H]- 475.12439 200.8
[M]+ 454.14917 204.4
[M]- 454.15027 204.4
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.