CID 509560

Chembl566395

Structural Information

Molecular Formula
C17H18N4
SMILES
CC1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C17H18N4/c1-12-2-4-13(5-3-12)8-9-19-17-15-10-14(18)6-7-16(15)20-11-21-17/h2-7,10-11H,8-9,18H2,1H3,(H,19,20,21)
InChIKey
DABPPDRICBEFBJ-UHFFFAOYSA-N
Compound name
4-N-[2-(4-methylphenyl)ethyl]quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

278.15314 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.16042 165.6
[M+Na]+ 301.14236 173.5
[M-H]- 277.14586 170.1
[M+NH4]+ 296.18696 179.2
[M+K]+ 317.11630 167.1
[M+H-H2O]+ 261.15040 155.7
[M+HCOO]- 323.15134 187.5
[M+CH3COO]- 337.16699 176.4
[M+Na-2H]- 299.12781 173.3
[M]+ 278.15259 164.3
[M]- 278.15369 164.3
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.