CID 25271556

5-methyl-6-phenylquinazoline-2,4-diamine

Structural Information

Molecular Formula
C15H14N4
SMILES
CC1=C(C=CC2=C1C(=NC(=N2)N)N)C3=CC=CC=C3
InChI
InChI=1S/C15H14N4/c1-9-11(10-5-3-2-4-6-10)7-8-12-13(9)14(16)19-15(17)18-12/h2-8H,1H3,(H4,16,17,18,19)
InChIKey
HUCOXWPHDFINIW-UHFFFAOYSA-N
Compound name
5-methyl-6-phenylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

250.12184 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12912 158.4
[M+Na]+ 273.11106 168.3
[M-H]- 249.11456 163.3
[M+NH4]+ 268.15566 173.3
[M+K]+ 289.08500 162.0
[M+H-H2O]+ 233.11910 149.3
[M+HCOO]- 295.12004 180.4
[M+CH3COO]- 309.13569 170.2
[M+Na-2H]- 271.09651 165.3
[M]+ 250.12129 156.0
[M]- 250.12239 156.0
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