CID 135650293

129302-00-7

Structural Information

Molecular Formula
C17H14N4O3
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)C2=NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C17H14N4O3/c1-24-12-8-6-11(7-9-12)10-18-21-17(23)15-19-14-5-3-2-4-13(14)16(22)20-15/h2-10H,1H3,(H,21,23)(H,19,20,22)/b18-10+
InChIKey
JZNJGMKPRVVOEA-VCHYOVAHSA-N
Compound name
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-oxo-3H-quinazoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1066 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.113876 172.3
[M+Na]+ 345.095818 180.3
[M-H]- 321.099324 177.6
[M+NH4]+ 340.140423 183.8
[M+K]+ 361.069758 175.1
[M+H-H2O]+ 305.103860 162.0
[M+HCOO]- 367.104801 194.9
[M+CH3COO]- 381.120451 211.4
[M+Na-2H]- 343.081266 180.0
[M]+ 322.10605142 173.3
[M]- 322.10714858 173.3
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.