CID 9571568

Nsc683590

Structural Information

Molecular Formula
C10H12N6O3
SMILES
CN1C(=C(C(=O)N(C1=O)C)/C=N/NC(=O)CC#N)N
InChI
InChI=1S/C10H12N6O3/c1-15-8(12)6(9(18)16(2)10(15)19)5-13-14-7(17)3-4-11/h5H,3,12H2,1-2H3,(H,14,17)/b13-5+
InChIKey
YUXPWKXTPVTFQT-WLRTZDKTSA-N
Compound name
N-[(E)-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-2-cyanoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.09708 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10436 158.2
[M+Na]+ 287.08630 168.3
[M-H]- 263.08980 160.1
[M+NH4]+ 282.13090 170.3
[M+K]+ 303.06024 167.1
[M+H-H2O]+ 247.09434 143.1
[M+HCOO]- 309.09528 179.3
[M+CH3COO]- 323.11093 216.6
[M+Na-2H]- 285.07175 160.6
[M]+ 264.09653 154.5
[M]- 264.09763 154.5
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.