CID 3077571

134749-35-2

Structural Information

Molecular Formula
C13H18N6O3
SMILES
CCNC1=NC2=CC(=C(C=C2C(=N1)NNC(=O)N)OC)OC
InChI
InChI=1S/C13H18N6O3/c1-4-15-13-16-8-6-10(22-3)9(21-2)5-7(8)11(17-13)18-19-12(14)20/h5-6H,4H2,1-3H3,(H3,14,19,20)(H2,15,16,17,18)
InChIKey
KDPJTIXABOWVBU-UHFFFAOYSA-N
Compound name
[[2-(ethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.14404 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15132 167.9
[M+Na]+ 329.13326 174.9
[M-H]- 305.13676 170.0
[M+NH4]+ 324.17786 180.1
[M+K]+ 345.10720 172.6
[M+H-H2O]+ 289.14130 158.7
[M+HCOO]- 351.14224 191.6
[M+CH3COO]- 365.15789 217.1
[M+Na-2H]- 327.11871 174.5
[M]+ 306.14349 169.7
[M]- 306.14459 169.7
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.