CID 159324

Tipifarnib

Structural Information

Molecular Formula
C27H22Cl2N4O
SMILES
CN1C=NC=C1[C@@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N
InChI
InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1
InChIKey
PLHJCIYEEKOWNM-HHHXNRCGSA-N
Compound name
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

470
References

25427
Patents

488.11707 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.12435 221.9
[M+Na]+ 511.10629 242.4
[M+NH4]+ 506.15089 229.7
[M+K]+ 527.08023 232.6
[M-H]- 487.10979 230.3
[M+Na-2H]- 509.09174 233.3
[M]+ 488.11652 228.3
[M]- 488.11762 228.3
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