CID 6481665

1-[(1s,1ar,7br)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-3-[5-[4-(hydrazinecarbonyl)phenoxy]-2-pyridyl]urea

Structural Information

Molecular Formula
C23H19F2N5O4
SMILES
C1[C@@H]2[C@@H]([C@@H]2NC(=O)NC3=NC=C(C=C3)OC4=CC=C(C=C4)C(=O)NN)C5=C(C=CC(=C5O1)F)F
InChI
InChI=1S/C23H19F2N5O4/c24-15-6-7-16(25)21-19(15)18-14(10-33-21)20(18)29-23(32)28-17-8-5-13(9-27-17)34-12-3-1-11(2-4-12)22(31)30-26/h1-9,14,18,20H,10,26H2,(H,30,31)(H2,27,28,29,32)/t14-,18-,20-/m1/s1
InChIKey
ZTEAVGODJINUKJ-LXGCGDOSSA-N
Compound name
1-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-3-[5-[4-(hydrazinecarbonyl)phenoxy]pyridin-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.1405 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.14778 199.4
[M+Na]+ 490.12972 207.1
[M-H]- 466.13322 207.3
[M+NH4]+ 485.17432 201.0
[M+K]+ 506.10366 201.7
[M+H-H2O]+ 450.13776 188.0
[M+HCOO]- 512.13870 217.0
[M+CH3COO]- 526.15435 206.6
[M+Na-2H]- 488.11517 203.5
[M]+ 467.13995 200.1
[M]- 467.14105 200.1
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.