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]+ 267.12404 157.2
[M+Na]+ 289.10598 164.8
[M-H]- 265.10948 160.9
[M+NH4]+ 284.15058 170.4
[M+K]+ 305.07992 158.4
[M+H-H2O]+ 249.11402 147.7
[M+HCOO]- 311.11496 179.3
[M+CH3COO]- 325.13061 168.0
[M+Na-2H]- 287.09143 167.5
[M]+ 266.11621 154.8
[M]- 266.11731 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.