CID 3077569

134749-32-9

Structural Information

Molecular Formula
C13H19N7O3
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)NCCN)NNC(=O)N)OC
InChI
InChI=1S/C13H19N7O3/c1-22-9-5-7-8(6-10(9)23-2)17-13(16-4-3-14)18-11(7)19-20-12(15)21/h5-6H,3-4,14H2,1-2H3,(H3,15,20,21)(H2,16,17,18,19)
InChIKey
GDXOJZAZKYYRNM-UHFFFAOYSA-N
Compound name
[[2-(2-aminoethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.15494 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16222 169.4
[M+Na]+ 344.14416 175.5
[M-H]- 320.14766 171.1
[M+NH4]+ 339.18876 180.4
[M+K]+ 360.11810 173.3
[M+H-H2O]+ 304.15220 159.9
[M+HCOO]- 366.15314 193.5
[M+CH3COO]- 380.16879 222.3
[M+Na-2H]- 342.12961 175.7
[M]+ 321.15439 169.5
[M]- 321.15549 169.5
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.