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]+ 219.12404 146.8
[M+Na]+ 241.10598 159.6
[M+NH4]+ 236.15058 154.4
[M+K]+ 257.07992 152.6
[M-H]- 217.10948 149.4
[M+Na-2H]- 239.09143 153.9
[M]+ 218.11621 149.1
[M]- 218.11731 149.1
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.