CID 57342784

N4-benzylquinazoline-2,4-diamine

Structural Information

Molecular Formula
C15H14N4
SMILES
C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)N
InChI
InChI=1S/C15H14N4/c16-15-18-13-9-5-4-8-12(13)14(19-15)17-10-11-6-2-1-3-7-11/h1-9H,10H2,(H3,16,17,18,19)
InChIKey
AOPGZFMVGYJPSS-UHFFFAOYSA-N
Compound name
4-N-benzylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

250.12184 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12912 156.9
[M+Na]+ 273.11106 172.1
[M+NH4]+ 268.15566 165.8
[M+K]+ 289.08500 163.5
[M-H]- 249.11456 162.9
[M+Na-2H]- 271.09651 167.3
[M]+ 250.12129 160.8
[M]- 250.12239 160.8
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