CID 3077567

134749-28-3

Structural Information

Molecular Formula
C15H22N6O3
SMILES
CCN(CC)C1=NC2=CC(=C(C=C2C(=N1)NNC(=O)N)OC)OC
InChI
InChI=1S/C15H22N6O3/c1-5-21(6-2)15-17-10-8-12(24-4)11(23-3)7-9(10)13(18-15)19-20-14(16)22/h7-8H,5-6H2,1-4H3,(H3,16,20,22)(H,17,18,19)
InChIKey
SHMMKVWKZUQAJP-UHFFFAOYSA-N
Compound name
[[2-(diethylamino)-6,7-dimethoxyquinazolin-4-yl]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.17532 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.18260 177.8
[M+Na]+ 357.16454 184.0
[M-H]- 333.16804 181.0
[M+NH4]+ 352.20914 189.5
[M+K]+ 373.13848 182.7
[M+H-H2O]+ 317.17258 168.1
[M+HCOO]- 379.17352 201.3
[M+CH3COO]- 393.18917 226.1
[M+Na-2H]- 355.14999 182.6
[M]+ 334.17477 181.5
[M]- 334.17587 181.5
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.