CID 171705621

At44389

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CC1=C(C=CC(=C1)N)N2CCC(=O)NC2=O
InChI
InChI=1S/C11H13N3O2/c1-7-6-8(12)2-3-9(7)14-5-4-10(15)13-11(14)16/h2-3,6H,4-5,12H2,1H3,(H,13,15,16)
InChIKey
WLRVFGDJWYIJRC-UHFFFAOYSA-N
Compound name
1-(4-amino-2-methylphenyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 149.8
[M+Na]+ 242.08999 157.6
[M-H]- 218.09349 152.2
[M+NH4]+ 237.13459 164.5
[M+K]+ 258.06393 153.2
[M+H-H2O]+ 202.09803 141.7
[M+HCOO]- 264.09897 167.8
[M+CH3COO]- 278.11462 188.5
[M+Na-2H]- 240.07544 152.4
[M]+ 219.10022 144.0
[M]- 219.10132 144.0
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

No patent data available for this compound.