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]+ 247.155336 155.8
[M+Na]+ 269.137278 163.0
[M-H]- 245.140784 157.6
[M+NH4]+ 264.181883 171.1
[M+K]+ 285.111218 159.3
[M+H-H2O]+ 229.145320 147.1
[M+HCOO]- 291.146261 177.7
[M+CH3COO]- 305.161911 200.5
[M+Na-2H]- 267.122726 163.5
[M]+ 246.14751142 156.4
[M]- 246.14860858 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.