CID 509540

Chembl569060

Structural Information

Molecular Formula
C15H21N5
SMILES
C1CCN(CC1)CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C15H21N5/c16-12-4-5-14-13(10-12)15(19-11-18-14)17-6-9-20-7-2-1-3-8-20/h4-5,10-11H,1-3,6-9,16H2,(H,17,18,19)
InChIKey
DRKGODMGWCPVMR-UHFFFAOYSA-N
Compound name
4-N-(2-piperidin-1-ylethyl)quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

271.1797 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18698 163.4
[M+Na]+ 294.16892 168.2
[M-H]- 270.17242 165.2
[M+NH4]+ 289.21352 175.3
[M+K]+ 310.14286 162.6
[M+H-H2O]+ 254.17696 152.6
[M+HCOO]- 316.17790 180.3
[M+CH3COO]- 330.19355 172.2
[M+Na-2H]- 292.15437 170.0
[M]+ 271.17915 157.3
[M]- 271.18025 157.3
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.