CID 168009943

1380723-44-3

Structural Information

Molecular Formula
C27H44N4OS
SMILES
CCCC(=NC(CC=C)C1=CC(=C(C=C1)N)S)C=C(C(=O)N(CCC(C)CC)C(C)CC)N
InChI
InChI=1S/C27H44N4OS/c1-7-11-22(30-25(12-8-2)21-13-14-23(28)26(33)17-21)18-24(29)27(32)31(20(6)10-4)16-15-19(5)9-3/h8,13-14,17-20,25,33H,2,7,9-12,15-16,28-29H2,1,3-6H3
InChIKey
VTUWVOKLHOLPMD-UHFFFAOYSA-N
Compound name
2-amino-4-[1-(4-amino-3-sulfanylphenyl)but-3-enylimino]-N-butan-2-yl-N-(3-methylpentyl)hept-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

472.32358 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.33086 223.4
[M+Na]+ 495.31280 226.1
[M+NH4]+ 490.35740 226.4
[M+K]+ 511.28674 219.9
[M-H]- 471.31630 224.6
[M+Na-2H]- 493.29825 222.7
[M]+ 472.32303 223.8
[M]- 472.32413 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

No patent data available for this compound.