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]+ 388.19792 205.4
[M+Na]+ 410.17986 213.2
[M-H]- 386.18336 209.8
[M+NH4]+ 405.22446 207.3
[M+K]+ 426.15380 206.8
[M+H-H2O]+ 370.18790 194.1
[M+HCOO]- 432.18884 218.8
[M+CH3COO]- 446.20449 224.4
[M+Na-2H]- 408.16531 205.1
[M]+ 387.19009 207.8
[M]- 387.19119 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.