CID 55290968

Pyrimido[4,5-d][1,3]diazin-2-amine

Structural Information

Molecular Formula
C6H5N5
SMILES
C1=C2C=NC(=NC2=NC=N1)N
InChI
InChI=1S/C6H5N5/c7-6-9-2-4-1-8-3-10-5(4)11-6/h1-3H,(H2,7,8,9,10,11)
InChIKey
XMNVBOSLZWOYFC-UHFFFAOYSA-N
Compound name
pyrimido[4,5-d]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

147.05449 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.061766 128.3
[M+Na]+ 170.043708 138.9
[M-H]- 146.047214 127.4
[M+NH4]+ 165.088313 144.8
[M+K]+ 186.017648 135.4
[M+H-H2O]+ 130.051750 119.6
[M+HCOO]- 192.052691 148.8
[M+CH3COO]- 206.068341 141.2
[M+Na-2H]- 168.029156 140.3
[M]+ 147.05394142 126.7
[M]- 147.05503858 126.7
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