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
3
Annotation Hits

0
References

66
Patents

152.03343 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.040706 128.5
[M+Na]+ 175.022648 137.2
[M-H]- 151.026154 127.6
[M+NH4]+ 170.067253 143.7
[M+K]+ 190.996588 134.8
[M+H-H2O]+ 135.030690 115.1
[M+HCOO]- 197.031631 144.4
[M+CH3COO]- 211.047281 185.6
[M+Na-2H]- 173.008096 133.8
[M]+ 152.03288142 117.8
[M]- 152.03397858 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