CID 172991795

Azd0022

Structural Information

Molecular Formula
C34H30F4N6O
SMILES
C#CC1=C(C=CC2=CC(=CC(=C21)C3=C(C=C4C(=C3F)N=C(N=C4N5C[C@@H]6C=C[C@H](C5)N6)OC[C@@]78CCCN7C[C@@H](C8)F)F)N)F
InChI
InChI=1S/C34H30F4N6O/c1-2-23-26(36)7-4-18-10-20(39)11-24(28(18)23)29-27(37)12-25-31(30(29)38)41-33(42-32(25)43-15-21-5-6-22(16-43)40-21)45-17-34-8-3-9-44(34)14-19(35)13-34/h1,4-7,10-12,19,21-22,40H,3,8-9,13-17,39H2/t19-,21-,22+,34+/m1/s1
InChIKey
HLFQZDAHMCQMND-HKZQTNHASA-N
Compound name
4-[4-[(1R,5S)-3,8-diazabicyclo[3.2.1]oct-6-en-3-yl]-6,8-difluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]quinazolin-7-yl]-5-ethynyl-6-fluoronaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.2417 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.24898 233.4
[M+Na]+ 637.23092 245.2
[M-H]- 613.23442 232.1
[M+NH4]+ 632.27552 237.5
[M+K]+ 653.20486 226.2
[M+H-H2O]+ 597.23896 212.3
[M+HCOO]- 659.23990 231.3
[M+CH3COO]- 673.25555 234.6
[M+Na-2H]- 635.21637 222.1
[M]+ 614.24115 222.6
[M]- 614.24225 222.6
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

No patent data available for this compound.