CID 467891

Chembl170900

Structural Information

Molecular Formula
C13H15N5
SMILES
CCC1=CC2=C(N1C)C=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C13H15N5/c1-3-7-6-8-10(18(7)2)5-4-9-11(8)12(14)17-13(15)16-9/h4-6H,3H2,1-2H3,(H4,14,15,16,17)
InChIKey
HBTTVXKGRCZMCN-UHFFFAOYSA-N
Compound name
8-ethyl-7-methylpyrrolo[3,2-f]quinazoline-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

241.13275 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.14003 156.0
[M+Na]+ 264.12197 168.6
[M-H]- 240.12547 158.4
[M+NH4]+ 259.16657 173.6
[M+K]+ 280.09591 162.7
[M+H-H2O]+ 224.13001 148.0
[M+HCOO]- 286.13095 178.0
[M+CH3COO]- 300.14660 168.6
[M+Na-2H]- 262.10742 161.9
[M]+ 241.13220 157.5
[M]- 241.13330 157.5
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

No patent data available for this compound.