CID 1881

7-(1-ethyl-propyl)-7h-pyrrolo-[3,2-f]quinazoline-1,3-diamine

Structural Information

Molecular Formula
C15H19N5
SMILES
CCC(CC)N1C=CC2=C1C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C15H19N5/c1-3-9(4-2)20-8-7-10-12(20)6-5-11-13(10)14(16)19-15(17)18-11/h5-9H,3-4H2,1-2H3,(H4,16,17,18,19)
InChIKey
GCPJCLJGTVTGRF-UHFFFAOYSA-N
Compound name
7-pentan-3-ylpyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

269.16403 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17131 164.5
[M+Na]+ 292.15325 174.8
[M-H]- 268.15675 166.2
[M+NH4]+ 287.19785 180.5
[M+K]+ 308.12719 169.1
[M+H-H2O]+ 252.16129 156.0
[M+HCOO]- 314.16223 184.8
[M+CH3COO]- 328.17788 175.8
[M+Na-2H]- 290.13870 169.0
[M]+ 269.16348 165.6
[M]- 269.16458 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe