CID 135570462

Brn 0806124

Structural Information

Molecular Formula
C15H14N4O
SMILES
C1=CC=C(C=C1)NNCC2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C15H14N4O/c20-15-12-8-4-5-9-13(12)17-14(18-15)10-16-19-11-6-2-1-3-7-11/h1-9,16,19H,10H2,(H,17,18,20)
InChIKey
FUBQKHLMMHWJOZ-UHFFFAOYSA-N
Compound name
2-[(2-phenylhydrazinyl)methyl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11676 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.124036 157.2
[M+Na]+ 289.105978 164.8
[M-H]- 265.109484 160.9
[M+NH4]+ 284.150583 170.4
[M+K]+ 305.079918 158.4
[M+H-H2O]+ 249.114020 147.7
[M+HCOO]- 311.114961 179.3
[M+CH3COO]- 325.130611 168.0
[M+Na-2H]- 287.091426 167.5
[M]+ 266.11621142 154.8
[M]- 266.11730858 154.8
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.