CID 63875

4(3h)-quinazolinone, 3-(((((1-methylethyl)amino)methyl)amino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C13H18N4O
SMILES
CC(C)NCNCN1C=NC2=CC=CC=C2C1=O
InChI
InChI=1S/C13H18N4O/c1-10(2)15-7-14-8-17-9-16-12-6-4-3-5-11(12)13(17)18/h3-6,9-10,14-15H,7-8H2,1-2H3
InChIKey
APMKJLQCDGRPOY-UHFFFAOYSA-N
Compound name
3-[[(propan-2-ylamino)methylamino]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.14806 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.15534 155.8
[M+Na]+ 269.13728 163.0
[M-H]- 245.14078 157.6
[M+NH4]+ 264.18188 171.1
[M+K]+ 285.11122 159.3
[M+H-H2O]+ 229.14532 147.1
[M+HCOO]- 291.14626 177.7
[M+CH3COO]- 305.16191 200.5
[M+Na-2H]- 267.12273 163.5
[M]+ 246.14751 156.4
[M]- 246.14861 156.4
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.