CID 6455073

65208-22-2

Structural Information

Molecular Formula
C25H30N5OS
SMILES
C1CCC(CC1)N(CC2=CC=CC=C2)C3=CC=C(C=C3)N=NC4=[N+](C=CS4)CCC(=O)N
InChI
InChI=1S/C25H29N5OS/c26-24(31)15-16-29-17-18-32-25(29)28-27-21-11-13-23(14-12-21)30(22-9-5-2-6-10-22)19-20-7-3-1-4-8-20/h1,3-4,7-8,11-14,17-18,22H,2,5-6,9-10,15-16,19H2,(H-,26,31)/p+1
InChIKey
MNIUZBYTYXCMME-UHFFFAOYSA-O
Compound name
3-[2-[[4-[benzyl(cyclohexyl)amino]phenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.2171 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.22438 205.9
[M+Na]+ 471.20632 206.4
[M-H]- 447.20982 218.9
[M+NH4]+ 466.25092 214.5
[M+K]+ 487.18026 196.0
[M+H-H2O]+ 431.21436 196.2
[M+HCOO]- 493.21530 225.3
[M+CH3COO]- 507.23095 236.7
[M+Na-2H]- 469.19177 207.6
[M]+ 448.21655 202.8
[M]- 448.21765 202.8
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.