CID 135398708

77440-13-2

Structural Information

Molecular Formula
C6H9N5O2
SMILES
CN(C=O)C1=C(N=C(NC1=O)N)N
InChI
InChI=1S/C6H9N5O2/c1-11(2-12)3-4(7)9-6(8)10-5(3)13/h2H,1H3,(H5,7,8,9,10,13)
InChIKey
CGWDNAFNQOBSCK-UHFFFAOYSA-N
Compound name
N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

78
Patents

183.07562 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08290 136.8
[M+Na]+ 206.06484 146.0
[M-H]- 182.06834 138.1
[M+NH4]+ 201.10944 153.0
[M+K]+ 222.03878 143.9
[M+H-H2O]+ 166.07288 129.2
[M+HCOO]- 228.07382 161.3
[M+CH3COO]- 242.08947 188.6
[M+Na-2H]- 204.05029 142.1
[M]+ 183.07507 134.3
[M]- 183.07617 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe