CID 509536

N4-phenethylquinazoline-4,6-diamine

Structural Information

Molecular Formula
C16H16N4
SMILES
C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C16H16N4/c17-13-6-7-15-14(10-13)16(20-11-19-15)18-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9,17H2,(H,18,19,20)
InChIKey
LZWIFJJUBZNZFX-UHFFFAOYSA-N
Compound name
4-N-(2-phenylethyl)quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
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 159.8
[M+Na]+ 287.12670 167.3
[M-H]- 263.13020 164.1
[M+NH4]+ 282.17130 173.7
[M+K]+ 303.10064 161.1
[M+H-H2O]+ 247.13474 149.9
[M+HCOO]- 309.13568 182.1
[M+CH3COO]- 323.15133 170.7
[M+Na-2H]- 285.11215 168.9
[M]+ 264.13693 157.8
[M]- 264.13803 157.8
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

patents stripe