CID 9571569

Nsc683606

Structural Information

Molecular Formula
C13H16N6O3
SMILES
CN1C(C(C(=O)N(C1=O)C)/C=N/NC(=O)C2=CN=CC=C2)N
InChI
InChI=1S/C13H16N6O3/c1-18-10(14)9(12(21)19(2)13(18)22)7-16-17-11(20)8-4-3-5-15-6-8/h3-7,9-10H,14H2,1-2H3,(H,17,20)/b16-7+
InChIKey
RVSMIXRCPDBFHN-FRKPEAEDSA-N
Compound name
N-[(E)-(4-amino-1,3-dimethyl-2,6-dioxo-1,3-diazinan-5-yl)methylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.1284 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13568 171.4
[M+Na]+ 327.11762 178.6
[M-H]- 303.12112 175.4
[M+NH4]+ 322.16222 182.0
[M+K]+ 343.09156 175.3
[M+H-H2O]+ 287.12566 161.3
[M+HCOO]- 349.12660 192.1
[M+CH3COO]- 363.14225 214.5
[M+Na-2H]- 325.10307 173.4
[M]+ 304.12785 168.8
[M]- 304.12895 168.8
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

No patent data available for this compound.