CID 490662

Chembl341703

Structural Information

Molecular Formula
C16H16N4
SMILES
C1=CC=C(C=C1)CCC2=C3C(=CC=C2)N=C(N=C3N)N
InChI
InChI=1S/C16H16N4/c17-15-14-12(10-9-11-5-2-1-3-6-11)7-4-8-13(14)19-16(18)20-15/h1-8H,9-10H2,(H4,17,18,19,20)
InChIKey
UIHMRPRVKDDARV-UHFFFAOYSA-N
Compound name
5-(2-phenylethyl)quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

264.13748 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14476 161.6
[M+Na]+ 287.12670 170.0
[M-H]- 263.13020 165.8
[M+NH4]+ 282.17130 175.5
[M+K]+ 303.10064 163.5
[M+H-H2O]+ 247.13474 152.0
[M+HCOO]- 309.13568 183.2
[M+CH3COO]- 323.15133 172.6
[M+Na-2H]- 285.11215 168.8
[M]+ 264.13693 159.1
[M]- 264.13803 159.1
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

patents stripe