CID 501279

6-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine

Structural Information

Molecular Formula
C15H13FN4
SMILES
C1=CC(=CC=C1CC2=CC3=C(C=C2)N=C(N=C3N)N)F
InChI
InChI=1S/C15H13FN4/c16-11-4-1-9(2-5-11)7-10-3-6-13-12(8-10)14(17)20-15(18)19-13/h1-6,8H,7H2,(H4,17,18,19,20)
InChIKey
RNIRZQIIMGCJGF-UHFFFAOYSA-N
Compound name
6-[(4-fluorophenyl)methyl]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

268.11243 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11971 161.1
[M+Na]+ 291.10165 171.0
[M-H]- 267.10515 164.6
[M+NH4]+ 286.14625 175.2
[M+K]+ 307.07559 164.3
[M+H-H2O]+ 251.10969 150.9
[M+HCOO]- 313.11063 182.0
[M+CH3COO]- 327.12628 172.3
[M+Na-2H]- 289.08710 167.4
[M]+ 268.11188 157.7
[M]- 268.11298 157.7
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