CID 43314756

5-[4-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione hydrochloride

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC1(C(=O)NC(=O)N1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C11H13N3O2/c1-11(9(15)13-10(16)14-11)8-4-2-7(6-12)3-5-8/h2-5H,6,12H2,1H3,(H2,13,14,15,16)
InChIKey
JXMYWTKMMOEYIW-UHFFFAOYSA-N
Compound name
5-[4-(aminomethyl)phenyl]-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

219.10077 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.108046 148.1
[M+Na]+ 242.089988 156.4
[M-H]- 218.093494 149.6
[M+NH4]+ 237.134593 165.8
[M+K]+ 258.063928 151.5
[M+H-H2O]+ 202.098030 141.4
[M+HCOO]- 264.098971 167.0
[M+CH3COO]- 278.114621 183.9
[M+Na-2H]- 240.075436 150.9
[M]+ 219.10022142 142.7
[M]- 219.10131858 142.7
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