CID 5467076

Nsc647313

Structural Information

Molecular Formula
C23H25N5OS
SMILES
CCCCN\1C(=CS/C1=N/NC(=O)CN2C(=NC3=CC=CC=C32)C)C4=CC=CC=C4
InChI
InChI=1S/C23H25N5OS/c1-3-4-14-27-21(18-10-6-5-7-11-18)16-30-23(27)26-25-22(29)15-28-17(2)24-19-12-8-9-13-20(19)28/h5-13,16H,3-4,14-15H2,1-2H3,(H,25,29)/b26-23+
InChIKey
XSKJBIRMCMRJLJ-WNAAXNPUSA-N
Compound name
N-[(E)-(3-butyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2-(2-methylbenzimidazol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.17798 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.18526 201.4
[M+Na]+ 442.16720 210.9
[M-H]- 418.17070 211.0
[M+NH4]+ 437.21180 213.4
[M+K]+ 458.14114 203.8
[M+H-H2O]+ 402.17524 191.6
[M+HCOO]- 464.17618 221.4
[M+CH3COO]- 478.19183 211.5
[M+Na-2H]- 440.15265 200.9
[M]+ 419.17743 208.4
[M]- 419.17853 208.4
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.