CID 135517995

Cyanamide, n-(1,4,5,6-tetrahydro-4,6-dioxo-2-pyrimidinyl)-

Structural Information

Molecular Formula
C5H4N4O2
SMILES
C1C(=O)NC(=NC#N)NC1=O
InChI
InChI=1S/C5H4N4O2/c6-2-7-5-8-3(10)1-4(11)9-5/h1H2,(H2,7,8,9,10,11)
InChIKey
JCHNBNRIALLIDT-UHFFFAOYSA-N
Compound name
(4,6-dioxo-1,3-diazinan-2-ylidene)cyanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

45
Patents

152.03343 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.04071 128.5
[M+Na]+ 175.02265 137.2
[M-H]- 151.02615 127.6
[M+NH4]+ 170.06725 143.7
[M+K]+ 190.99659 134.8
[M+H-H2O]+ 135.03069 115.1
[M+HCOO]- 197.03163 144.4
[M+CH3COO]- 211.04728 185.6
[M+Na-2H]- 173.00810 133.8
[M]+ 152.03288 117.8
[M]- 152.03398 117.8
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