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

1
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

patents stripe