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 155.4
[M+Na]+ 273.11106 163.3
[M-H]- 249.11456 159.9
[M+NH4]+ 268.15566 169.8
[M+K]+ 289.08500 157.3
[M+H-H2O]+ 233.11910 145.7
[M+HCOO]- 295.12004 178.0
[M+CH3COO]- 309.13569 166.7
[M+Na-2H]- 271.09651 165.0
[M]+ 250.12129 153.1
[M]- 250.12239 153.1
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