CID 46834118

Derazantinib

Structural Information

Molecular Formula
C29H29FN4O
SMILES
COCCNCCC1=CC(=CC=C1)NC2=NC=C3C[C@H](C4=CC=CC=C4C3=N2)C5=CC=CC=C5F
InChI
InChI=1S/C29H29FN4O/c1-35-16-15-31-14-13-20-7-6-8-22(17-20)33-29-32-19-21-18-26(24-10-4-5-12-27(24)30)23-9-2-3-11-25(23)28(21)34-29/h2-12,17,19,26,31H,13-16,18H2,1H3,(H,32,33,34)/t26-/m1/s1
InChIKey
KPJDVVCDVBFRMU-AREMUKBSSA-N
Compound name
(6R)-6-(2-fluorophenyl)-N-[3-[2-(2-methoxyethylamino)ethyl]phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

1421
Patents

468.23254 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.23982 219.2
[M+Na]+ 491.22176 235.0
[M+NH4]+ 486.26636 226.6
[M+K]+ 507.19570 223.2
[M-H]- 467.22526 226.6
[M+Na-2H]- 489.20721 228.3
[M]+ 468.23199 223.7
[M]- 468.23309 223.7
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