CID 509537

Chembl566394

Structural Information

Molecular Formula
C16H22N4
SMILES
C1CCC(CC1)CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C16H22N4/c17-13-6-7-15-14(10-13)16(20-11-19-15)18-9-8-12-4-2-1-3-5-12/h6-7,10-12H,1-5,8-9,17H2,(H,18,19,20)
InChIKey
NCLMLTPODJJZNM-UHFFFAOYSA-N
Compound name
4-N-(2-cyclohexylethyl)quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

270.18445 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.19173 162.9
[M+Na]+ 293.17367 167.2
[M-H]- 269.17717 166.0
[M+NH4]+ 288.21827 176.3
[M+K]+ 309.14761 161.7
[M+H-H2O]+ 253.18171 152.9
[M+HCOO]- 315.18265 180.9
[M+CH3COO]- 329.19830 172.1
[M+Na-2H]- 291.15912 168.9
[M]+ 270.18390 156.6
[M]- 270.18500 156.6
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

No patent data available for this compound.