CID 3086807

2-butyn-1-amine, 4-((1-(4-(dimethylamino)-2-butynyl)-1h-benzimidazol-2-yl)thio)-n,n-dimethyl-

Structural Information

Molecular Formula
C19H24N4S
SMILES
CN(C)CC#CCN1C2=CC=CC=C2N=C1SCC#CCN(C)C
InChI
InChI=1S/C19H24N4S/c1-21(2)13-7-8-15-23-18-12-6-5-11-17(18)20-19(23)24-16-10-9-14-22(3)4/h5-6,11-12H,13-16H2,1-4H3
InChIKey
ZOUPOBNCNLFAPI-UHFFFAOYSA-N
Compound name
4-[2-[4-(dimethylamino)but-2-ynylsulfanyl]benzimidazol-1-yl]-N,N-dimethylbut-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17218 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17946 188.9
[M+Na]+ 363.16140 197.1
[M+NH4]+ 358.20600 189.2
[M+K]+ 379.13534 185.8
[M-H]- 339.16490 178.6
[M+Na-2H]- 361.14685 187.0
[M]+ 340.17163 186.2
[M]- 340.17273 186.2
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.