CID 18975787

164648-33-3

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CC1(C(=O)N(C(=O)N1)CC2=CC=C(C=C2)CN)C
InChI
InChI=1S/C13H17N3O2/c1-13(2)11(17)16(12(18)15-13)8-10-5-3-9(7-14)4-6-10/h3-6H,7-8,14H2,1-2H3,(H,15,18)
InChIKey
KTGFXZBCBZTEKN-UHFFFAOYSA-N
Compound name
3-[[4-(aminomethyl)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

247.13208 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.139356 155.8
[M+Na]+ 270.121298 164.6
[M-H]- 246.124804 158.8
[M+NH4]+ 265.165903 173.5
[M+K]+ 286.095238 160.1
[M+H-H2O]+ 230.129340 148.8
[M+HCOO]- 292.130281 175.6
[M+CH3COO]- 306.145931 193.5
[M+Na-2H]- 268.106746 157.4
[M]+ 247.13153142 153.4
[M]- 247.13262858 153.4
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

patents stripe