CID 63895

75174-39-9

Structural Information

Molecular Formula
C11H13N3O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CNCCO
InChI
InChI=1S/C11H13N3O2/c15-6-5-12-7-14-8-13-10-4-2-1-3-9(10)11(14)16/h1-4,8,12,15H,5-7H2
InChIKey
SOOIWFFGQUOGIJ-UHFFFAOYSA-N
Compound name
3-[(2-hydroxyethylamino)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.10077 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 146.1
[M+Na]+ 242.08999 154.8
[M-H]- 218.09349 146.8
[M+NH4]+ 237.13459 162.1
[M+K]+ 258.06393 150.7
[M+H-H2O]+ 202.09803 138.2
[M+HCOO]- 264.09897 167.4
[M+CH3COO]- 278.11462 188.2
[M+Na-2H]- 240.07544 155.2
[M]+ 219.10022 146.9
[M]- 219.10132 146.9
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.