CID 509541

Chembl578787

Structural Information

Molecular Formula
C14H19N5
SMILES
C1CCN(C1)CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C14H19N5/c15-11-3-4-13-12(9-11)14(18-10-17-13)16-5-8-19-6-1-2-7-19/h3-4,9-10H,1-2,5-8,15H2,(H,16,17,18)
InChIKey
MNIYCTNUKJEZAX-UHFFFAOYSA-N
Compound name
4-N-(2-pyrrolidin-1-ylethyl)quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

257.16403 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17131 157.9
[M+Na]+ 280.15325 164.0
[M-H]- 256.15675 160.6
[M+NH4]+ 275.19785 172.5
[M+K]+ 296.12719 158.9
[M+H-H2O]+ 240.16129 147.8
[M+HCOO]- 302.16223 177.6
[M+CH3COO]- 316.17788 168.1
[M+Na-2H]- 278.13870 163.2
[M]+ 257.16348 153.8
[M]- 257.16458 153.8
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.