CID 63567

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

Structural Information

Molecular Formula
C17H18N4O2
SMILES
COC1=CC=C(C=C1)NCNCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C17H18N4O2/c1-23-14-8-6-13(7-9-14)19-10-18-11-21-12-20-16-5-3-2-4-15(16)17(21)22/h2-9,12,18-19H,10-11H2,1H3
InChIKey
QMKSAZYWHHZYEI-UHFFFAOYSA-N
Compound name
3-[[(4-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]+ 311.15025 170.4
[M+Na]+ 333.13219 178.1
[M-H]- 309.13569 175.4
[M+NH4]+ 328.17679 182.6
[M+K]+ 349.10613 172.8
[M+H-H2O]+ 293.14023 159.9
[M+HCOO]- 355.14117 193.4
[M+CH3COO]- 369.15682 211.0
[M+Na-2H]- 331.11764 179.2
[M]+ 310.14242 172.1
[M]- 310.14352 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.