CID 53507

S72014

Structural Information

Molecular Formula
C15H25N5O3S
SMILES
CC(C)CN(CC(C)C)CN1CCN(C1=O)C2=NC=C(S2)[N+](=O)[O-]
InChI
InChI=1S/C15H25N5O3S/c1-11(2)8-17(9-12(3)4)10-18-5-6-19(15(18)21)14-16-7-13(24-14)20(22)23/h7,11-12H,5-6,8-10H2,1-4H3
InChIKey
XQAYYJIRGINCFP-UHFFFAOYSA-N
Compound name
1-[[bis(2-methylpropyl)amino]methyl]-3-(5-nitro-1,3-thiazol-2-yl)imidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

355.16782 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17510 184.3
[M+Na]+ 378.15704 188.0
[M-H]- 354.16054 188.9
[M+NH4]+ 373.20164 196.7
[M+K]+ 394.13098 182.7
[M+H-H2O]+ 338.16508 180.2
[M+HCOO]- 400.16602 198.9
[M+CH3COO]- 414.18167 213.1
[M+Na-2H]- 376.14249 181.0
[M]+ 355.16727 185.3
[M]- 355.16837 185.3
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

No patent data available for this compound.