CID 118432

Ibazole dimethylamide

Structural Information

Molecular Formula
C20H32N4O2S2
SMILES
CC(C)(CCC1=NC2=C(S1)N=C(S2)CCC(C)(C)C(=O)N(C)C)C(=O)N(C)C
InChI
InChI=1S/C20H32N4O2S2/c1-19(2,17(25)23(5)6)11-9-13-21-15-16(27-13)22-14(28-15)10-12-20(3,4)18(26)24(7)8/h9-12H2,1-8H3
InChIKey
YJQUNKOOBWNEAQ-UHFFFAOYSA-N
Compound name
4-[5-[4-(dimethylamino)-3,3-dimethyl-4-oxobutyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]-N,N,2,2-tetramethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.19666 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.20394 207.1
[M+Na]+ 447.18588 212.9
[M-H]- 423.18938 211.8
[M+NH4]+ 442.23048 221.3
[M+K]+ 463.15982 211.2
[M+H-H2O]+ 407.19392 200.8
[M+HCOO]- 469.19486 216.2
[M+CH3COO]- 483.21051 235.9
[M+Na-2H]- 445.17133 204.5
[M]+ 424.19611 218.0
[M]- 424.19721 218.0
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.