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 146.0
[M+Na]+ 241.10598 154.5
[M-H]- 217.10948 148.1
[M+NH4]+ 236.15058 162.5
[M+K]+ 257.07992 150.6
[M+H-H2O]+ 201.11402 137.7
[M+HCOO]- 263.11496 169.7
[M+CH3COO]- 277.13061 193.6
[M+Na-2H]- 239.09143 156.1
[M]+ 218.11621 146.6
[M]- 218.11731 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.