CID 6481666

4-[[6-[[(1s,1ar,7br)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]-3-pyridyl]oxy]-n-cyclopropyl-benzamide

Structural Information

Molecular Formula
C26H22F2N4O4
SMILES
C1CC1NC(=O)C2=CC=C(C=C2)OC3=CN=C(C=C3)NC(=O)N[C@@H]4[C@H]5[C@@H]4C6=C(C=CC(=C6OC5)F)F
InChI
InChI=1S/C26H22F2N4O4/c27-18-8-9-19(28)24-22(18)21-17(12-35-24)23(21)32-26(34)31-20-10-7-16(11-29-20)36-15-5-1-13(2-6-15)25(33)30-14-3-4-14/h1-2,5-11,14,17,21,23H,3-4,12H2,(H,30,33)(H2,29,31,32,34)/t17-,21-,23-/m1/s1
InChIKey
ZQIGXNJXZYUGQI-ODOSVJCGSA-N
Compound name
4-[6-[[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]carbamoylamino]pyridin-3-yl]oxy-N-cyclopropylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.16092 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.16820 203.4
[M+Na]+ 515.15014 209.2
[M-H]- 491.15364 212.4
[M+NH4]+ 510.19474 199.5
[M+K]+ 531.12408 204.4
[M+H-H2O]+ 475.15818 193.9
[M+HCOO]- 537.15912 217.5
[M+CH3COO]- 551.17477 208.3
[M+Na-2H]- 513.13559 204.6
[M]+ 492.16037 206.3
[M]- 492.16147 206.3
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.