CID 6480202

(4s)-6-chloro-3-cyclopropyl-4-[(e)-2-(1-methylcyclopropyl)vinyl]-4-(trifluoromethyl)-1h-quinazolin-2-one

Structural Information

Molecular Formula
C18H18ClF3N2O
SMILES
CC1(CC1)/C=C/[C@]2(C3=C(C=CC(=C3)Cl)NC(=O)N2C4CC4)C(F)(F)F
InChI
InChI=1S/C18H18ClF3N2O/c1-16(6-7-16)8-9-17(18(20,21)22)13-10-11(19)2-5-14(13)23-15(25)24(17)12-3-4-12/h2,5,8-10,12H,3-4,6-7H2,1H3,(H,23,25)/b9-8+/t17-/m0/s1
InChIKey
LNARXKUQSBXXGE-IJDCCNJMSA-N
Compound name
(4S)-6-chloro-3-cyclopropyl-4-[(E)-2-(1-methylcyclopropyl)ethenyl]-4-(trifluoromethyl)-1H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.106 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11328 187.1
[M+Na]+ 393.09522 195.3
[M-H]- 369.09872 189.1
[M+NH4]+ 388.13982 190.9
[M+K]+ 409.06916 190.3
[M+H-H2O]+ 353.10326 179.1
[M+HCOO]- 415.10420 191.2
[M+CH3COO]- 429.11985 192.7
[M+Na-2H]- 391.08067 187.1
[M]+ 370.10545 187.0
[M]- 370.10655 187.0
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

No patent data available for this compound.