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

5
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.