CID 6481667

Acetamide, n-[4-[[6-[[[[(1s,1ar,7br)-4,7-difluoro-1,1a,2,7b-tetrahydrobenzo[b]cyclopropa[d]pyran-1-yl]amino]carbonyl]amino]-3-pyridinyl]oxy]phenyl]-

Structural Information

Molecular Formula
C24H20F2N4O4
SMILES
CC(=O)NC1=CC=C(C=C1)OC2=CN=C(C=C2)NC(=O)N[C@@H]3[C@H]4[C@@H]3C5=C(C=CC(=C5OC4)F)F
InChI
InChI=1S/C24H20F2N4O4/c1-12(31)28-13-2-4-14(5-3-13)34-15-6-9-19(27-10-15)29-24(32)30-22-16-11-33-23-18(26)8-7-17(25)21(23)20(16)22/h2-10,16,20,22H,11H2,1H3,(H,28,31)(H2,27,29,30,32)/t16-,20-,22-/m1/s1
InChIKey
TUDFUCVXINCDDH-BSLALVQMSA-N
Compound name
N-[4-[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]pyridin-3-yl]oxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.14526 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.15254 203.3
[M+Na]+ 489.13448 211.3
[M-H]- 465.13798 211.4
[M+NH4]+ 484.17908 205.3
[M+K]+ 505.10842 205.8
[M+H-H2O]+ 449.14252 191.4
[M+HCOO]- 511.14346 220.0
[M+CH3COO]- 525.15911 210.5
[M+Na-2H]- 487.11993 206.6
[M]+ 466.14471 205.4
[M]- 466.14581 205.4
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.