CID 24778299

5-[(1s)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine

Structural Information

Molecular Formula
C16H15ClN4O
SMILES
C[C@@H](C1=CC(=CC=C1)Cl)OC2=CC=CC3=C2C(=NC(=N3)N)N
InChI
InChI=1S/C16H15ClN4O/c1-9(10-4-2-5-11(17)8-10)22-13-7-3-6-12-14(13)15(18)21-16(19)20-12/h2-9H,1H3,(H4,18,19,20,21)/t9-/m0/s1
InChIKey
IDHINEMSCUFEIP-VIFPVBQESA-N
Compound name
5-[(1S)-1-(3-chlorophenyl)ethoxy]quinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

314.09344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10072 172.2
[M+Na]+ 337.08266 181.7
[M-H]- 313.08616 176.6
[M+NH4]+ 332.12726 185.1
[M+K]+ 353.05660 175.1
[M+H-H2O]+ 297.09070 163.3
[M+HCOO]- 359.09164 188.3
[M+CH3COO]- 373.10729 182.7
[M+Na-2H]- 335.06811 176.9
[M]+ 314.09289 173.2
[M]- 314.09399 173.2
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