CID 474494

(4-{2-[aza(4-butoxyphenyl)methylene]-4-methyl-(1,3-thiazolin-3-yl)}phenoxy)dimethylamine

Structural Information

Molecular Formula
C22H27N3O2S
SMILES
CCCCOC1=CC=C(C=C1)N=C2N(C(=CS2)C)C3=CC=C(C=C3)ON(C)C
InChI
InChI=1S/C22H27N3O2S/c1-5-6-15-26-20-11-7-18(8-12-20)23-22-25(17(2)16-28-22)19-9-13-21(14-10-19)27-24(3)4/h7-14,16H,5-6,15H2,1-4H3
InChIKey
MHIRYYGUHRWAGS-UHFFFAOYSA-N
Compound name
N-[4-[2-(4-butoxyphenyl)imino-4-methyl-1,3-thiazol-3-yl]phenoxy]-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.1824 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.18968 197.2
[M+Na]+ 420.17162 204.4
[M-H]- 396.17512 208.7
[M+NH4]+ 415.21622 210.3
[M+K]+ 436.14556 199.9
[M+H-H2O]+ 380.17966 186.9
[M+HCOO]- 442.18060 219.2
[M+CH3COO]- 456.19625 230.6
[M+Na-2H]- 418.15707 196.3
[M]+ 397.18185 205.3
[M]- 397.18295 205.3
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.