CID 5272321

Cyclohexanecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-1-methyl-n-(phenylmethyl)-

Structural Information

Molecular Formula
C26H30N4O2S
SMILES
CC1(CCCCC1)C(=O)N(CC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C26H30N4O2S/c1-26(14-6-3-7-15-26)24(32)30(16-19-8-4-2-5-9-19)17-23(31)28-21-12-10-20(11-13-21)22-18-33-25(27)29-22/h2,4-5,8-13,18H,3,6-7,14-17H2,1H3,(H2,27,29)(H,28,31)
InChIKey
SAZRKLFSYUDSGY-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzyl-1-methylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.20895 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.21623 209.6
[M+Na]+ 485.19817 210.8
[M-H]- 461.20167 220.2
[M+NH4]+ 480.24277 219.0
[M+K]+ 501.17211 205.9
[M+H-H2O]+ 445.20621 199.1
[M+HCOO]- 507.20715 224.6
[M+CH3COO]- 521.22280 216.2
[M+Na-2H]- 483.18362 207.6
[M]+ 462.20840 206.8
[M]- 462.20950 206.8
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

No patent data available for this compound.