CID 3077561

2-chloro-6,7-dimethoxy-4-semicarbazidoquinazoline

Structural Information

Molecular Formula
C11H12ClN5O3
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NNC(=O)N)OC
InChI
InChI=1S/C11H12ClN5O3/c1-19-7-3-5-6(4-8(7)20-2)14-10(12)15-9(5)16-17-11(13)18/h3-4H,1-2H3,(H3,13,17,18)(H,14,15,16)
InChIKey
PFWSCGTYSKDAGX-UHFFFAOYSA-N
Compound name
[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.06287 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07015 162.6
[M+Na]+ 320.05209 172.1
[M-H]- 296.05559 164.8
[M+NH4]+ 315.09669 176.5
[M+K]+ 336.02603 168.4
[M+H-H2O]+ 280.06013 154.9
[M+HCOO]- 342.06107 181.4
[M+CH3COO]- 356.07672 209.2
[M+Na-2H]- 318.03754 169.0
[M]+ 297.06232 166.5
[M]- 297.06342 166.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.