CID 15606392

314771-76-1

Structural Information

Molecular Formula
C18H16ClFN4O2
SMILES
C1COC[C@H]1OC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)N
InChI
InChI=1S/C18H16ClFN4O2/c19-13-5-10(1-2-14(13)20)24-18-12-6-15(21)17(7-16(12)22-9-23-18)26-11-3-4-25-8-11/h1-2,5-7,9,11H,3-4,8,21H2,(H,22,23,24)/t11-/m0/s1
InChIKey
BIQABKFYKJRXII-NSHDSACASA-N
Compound name
4-N-(3-chloro-4-fluorophenyl)-7-[(3S)-oxolan-3-yl]oxyquinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

374.09457 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10185 185.5
[M+Na]+ 397.08379 194.5
[M-H]- 373.08729 192.6
[M+NH4]+ 392.12839 196.3
[M+K]+ 413.05773 188.4
[M+H-H2O]+ 357.09183 174.7
[M+HCOO]- 419.09277 199.9
[M+CH3COO]- 433.10842 195.2
[M+Na-2H]- 395.06924 187.9
[M]+ 374.09402 185.7
[M]- 374.09512 185.7
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