CID 3065367

Succinamide, n-allyl-n'-(5-isopropyl-1,3,4-thiadiazol-2-yl)-

Structural Information

Molecular Formula
C12H18N4O2S
SMILES
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)NCC=C
InChI
InChI=1S/C12H18N4O2S/c1-4-7-13-9(17)5-6-10(18)14-12-16-15-11(19-12)8(2)3/h4,8H,1,5-7H2,2-3H3,(H,13,17)(H,14,16,18)
InChIKey
QVKDOZYBVZRYKD-UHFFFAOYSA-N
Compound name
N'-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-N-prop-2-enylbutanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.11505 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12233 166.9
[M+Na]+ 305.10427 172.3
[M-H]- 281.10777 167.8
[M+NH4]+ 300.14887 181.7
[M+K]+ 321.07821 169.3
[M+H-H2O]+ 265.11231 158.7
[M+HCOO]- 327.11325 183.3
[M+CH3COO]- 341.12890 203.2
[M+Na-2H]- 303.08972 165.1
[M]+ 282.11450 169.4
[M]- 282.11560 169.4
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.