CID 5272424

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

Structural Information

Molecular Formula
C22H31N5O2S
SMILES
CN(C)CCN(CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N)C(=O)C3CCCCC3
InChI
InChI=1S/C22H31N5O2S/c1-26(2)12-13-27(21(29)17-6-4-3-5-7-17)14-20(28)24-18-10-8-16(9-11-18)19-15-30-22(23)25-19/h8-11,15,17H,3-7,12-14H2,1-2H3,(H2,23,25)(H,24,28)
InChIKey
FMBITMWVCKKVHB-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.21985 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.22713 202.5
[M+Na]+ 452.20907 202.3
[M-H]- 428.21257 211.5
[M+NH4]+ 447.25367 212.1
[M+K]+ 468.18301 199.7
[M+H-H2O]+ 412.21711 192.0
[M+HCOO]- 474.21805 218.8
[M+CH3COO]- 488.23370 240.2
[M+Na-2H]- 450.19452 198.8
[M]+ 429.21930 201.0
[M]- 429.22040 201.0
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.