CID 3077566

134749-27-2

Structural Information

Molecular Formula
C11H15N7O3
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)NN)NNC(=O)N)OC
InChI
InChI=1S/C11H15N7O3/c1-20-7-3-5-6(4-8(7)21-2)14-11(16-13)15-9(5)17-18-10(12)19/h3-4H,13H2,1-2H3,(H3,12,18,19)(H2,14,15,16,17)
InChIKey
WHGFBOLOIGJKRQ-UHFFFAOYSA-N
Compound name
[(2-hydrazinyl-6,7-dimethoxyquinazolin-4-yl)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.12363 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13091 161.0
[M+Na]+ 316.11285 168.0
[M-H]- 292.11635 163.0
[M+NH4]+ 311.15745 173.1
[M+K]+ 332.08679 166.1
[M+H-H2O]+ 276.12089 151.9
[M+HCOO]- 338.12183 185.7
[M+CH3COO]- 352.13748 216.4
[M+Na-2H]- 314.09830 168.3
[M]+ 293.12308 160.5
[M]- 293.12418 160.5
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.