CID 14387

Zolamine

Structural Information

Molecular Formula
C15H21N3OS
SMILES
CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CS2
InChI
InChI=1S/C15H21N3OS/c1-17(2)9-10-18(15-16-8-11-20-15)12-13-4-6-14(19-3)7-5-13/h4-8,11H,9-10,12H2,1-3H3
InChIKey
KYBJXENQEZJILU-UHFFFAOYSA-N
Compound name
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(1,3-thiazol-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2604
Patents

291.14053 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.147806 168.5
[M+Na]+ 314.129748 174.4
[M-H]- 290.133254 176.6
[M+NH4]+ 309.174353 185.7
[M+K]+ 330.103688 172.7
[M+H-H2O]+ 274.137790 159.5
[M+HCOO]- 336.138731 190.1
[M+CH3COO]- 350.154381 210.9
[M+Na-2H]- 312.115196 169.5
[M]+ 291.13998142 174.5
[M]- 291.14107858 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe