CID 56933206

Unii-m8r6eta52f

Structural Information

Molecular Formula
C27H29ClFN5O2
SMILES
CN1CCC2(CC1)CC(C2)COC3=C(C=C4C(=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)NC(=O)C=C
InChI
InChI=1S/C27H29ClFN5O2/c1-3-25(35)33-23-11-19-22(30-16-31-26(19)32-18-4-5-21(29)20(28)10-18)12-24(23)36-15-17-13-27(14-17)6-8-34(2)9-7-27/h3-5,10-12,16-17H,1,6-9,13-15H2,2H3,(H,33,35)(H,30,31,32)
InChIKey
KJBZQIKLKWQVLL-UHFFFAOYSA-N
Compound name
N-[4-(3-chloro-4-fluoroanilino)-7-[(7-methyl-7-azaspiro[3.5]nonan-2-yl)methoxy]quinazolin-6-yl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

285
Patents

509.19937 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.20665 223.1
[M+Na]+ 532.18859 231.8
[M+NH4]+ 527.23319 225.9
[M+K]+ 548.16253 222.7
[M-H]- 508.19209 225.3
[M+Na-2H]- 530.17404 227.4
[M]+ 509.19882 224.0
[M]- 509.19992 224.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe