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]+ 248.13936 155.8
[M+Na]+ 270.12130 164.6
[M-H]- 246.12480 158.8
[M+NH4]+ 265.16590 173.5
[M+K]+ 286.09524 160.1
[M+H-H2O]+ 230.12934 148.8
[M+HCOO]- 292.13028 175.6
[M+CH3COO]- 306.14593 193.5
[M+Na-2H]- 268.10675 157.4
[M]+ 247.13153 153.4
[M]- 247.13263 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