CID 3080436

Sr 45341 a

Structural Information

Molecular Formula
C16H24N4S
SMILES
CC1=CC(=C(C(=C1)C)C2=NN=C(S2)NCCCN(C)C)C
InChI
InChI=1S/C16H24N4S/c1-11-9-12(2)14(13(3)10-11)15-18-19-16(21-15)17-7-6-8-20(4)5/h9-10H,6-8H2,1-5H3,(H,17,19)
InChIKey
BUCLLOATCUPBCS-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-[5-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-yl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.17218 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17946 174.1
[M+Na]+ 327.16140 185.7
[M+NH4]+ 322.20600 181.9
[M+K]+ 343.13534 178.3
[M-H]- 303.16490 178.7
[M+Na-2H]- 325.14685 180.4
[M]+ 304.17163 177.5
[M]- 304.17273 177.5
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

patents stripe