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]+ 220.108046 146.1
[M+Na]+ 242.089988 154.8
[M-H]- 218.093494 146.8
[M+NH4]+ 237.134593 162.1
[M+K]+ 258.063928 150.7
[M+H-H2O]+ 202.098030 138.2
[M+HCOO]- 264.098971 167.4
[M+CH3COO]- 278.114621 188.2
[M+Na-2H]- 240.075436 155.2
[M]+ 219.10022142 146.9
[M]- 219.10131858 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.