CID 63883

4(3h)-quinazolinone, 3-(((((2-methoxyphenyl)amino)methyl)amino)methyl)-, dihydrochloride

Structural Information

Molecular Formula
C17H18N4O2
SMILES
COC1=CC=CC=C1NCNCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H18N4O2/c1-23-16-9-5-4-8-15(16)19-10-18-11-21-12-20-14-7-3-2-6-13(14)17(21)22/h2-9,12,18-19H,10-11H2,1H3
InChIKey
AYKXLIMXLNVECH-UHFFFAOYSA-N
Compound name
3-[[(2-methoxyanilino)methylamino]methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.14297 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.150246 170.4
[M+Na]+ 333.132188 178.1
[M-H]- 309.135694 175.4
[M+NH4]+ 328.176793 182.6
[M+K]+ 349.106128 172.8
[M+H-H2O]+ 293.140230 159.9
[M+HCOO]- 355.141171 193.4
[M+CH3COO]- 369.156821 211.0
[M+Na-2H]- 331.117636 179.2
[M]+ 310.14242142 172.1
[M]- 310.14351858 172.1
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.