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]+ 323.11388 172.3
[M+Na]+ 345.09582 180.3
[M-H]- 321.09932 177.6
[M+NH4]+ 340.14042 183.8
[M+K]+ 361.06976 175.1
[M+H-H2O]+ 305.10386 162.0
[M+HCOO]- 367.10480 194.9
[M+CH3COO]- 381.12045 211.4
[M+Na-2H]- 343.08127 180.0
[M]+ 322.10605 173.3
[M]- 322.10715 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.