CID 63873

75159-16-9

Structural Information

Molecular Formula
C11H14N4O
SMILES
CNCNCN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C11H14N4O/c1-12-6-13-7-15-8-14-10-5-3-2-4-9(10)11(15)16/h2-5,8,12-13H,6-7H2,1H3
InChIKey
BOXVWSKHFHPGDZ-UHFFFAOYSA-N
Compound name
3-[(methylaminomethylamino)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.11676 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.124036 146.0
[M+Na]+ 241.105978 154.5
[M-H]- 217.109484 148.1
[M+NH4]+ 236.150583 162.5
[M+K]+ 257.079918 150.6
[M+H-H2O]+ 201.114020 137.7
[M+HCOO]- 263.114961 169.7
[M+CH3COO]- 277.130611 193.6
[M+Na-2H]- 239.091426 156.1
[M]+ 218.11621142 146.6
[M]- 218.11730858 146.6
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.