CID 3049503

Sld-171

Structural Information

Molecular Formula
C19H25N5O4
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)OCC4CC4)N)OC
InChI
InChI=1S/C19H25N5O4/c1-26-15-9-13-14(10-16(15)27-2)21-18(22-17(13)20)23-5-7-24(8-6-23)19(25)28-11-12-3-4-12/h9-10,12H,3-8,11H2,1-2H3,(H2,20,21,22)
InChIKey
VUTBQRPEJISURI-UHFFFAOYSA-N
Compound name
cyclopropylmethyl 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.19064 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.197916 205.4
[M+Na]+ 410.179858 213.2
[M-H]- 386.183364 209.8
[M+NH4]+ 405.224463 207.3
[M+K]+ 426.153798 206.8
[M+H-H2O]+ 370.187900 194.1
[M+HCOO]- 432.188841 218.8
[M+CH3COO]- 446.204491 224.4
[M+Na-2H]- 408.165306 205.1
[M]+ 387.19009142 207.8
[M]- 387.19118858 207.8
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.