CID 9956637

Pd 198306

Structural Information

Molecular Formula
C18H16F3IN2O2
SMILES
CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2C(=O)NOCC3CC3)F)F)F
InChI
InChI=1S/C18H16F3IN2O2/c1-9-6-11(22)4-5-14(9)23-17-12(7-13(19)15(20)16(17)21)18(25)24-26-8-10-2-3-10/h4-7,10,23H,2-3,8H2,1H3,(H,24,25)
InChIKey
UHAXDAKQGVISBZ-UHFFFAOYSA-N
Compound name
N-(cyclopropylmethoxy)-3,4,5-trifluoro-2-(4-iodo-2-methylanilino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

181
Patents

476.02087 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.02815 183.9
[M+Na]+ 499.01009 186.6
[M-H]- 475.01359 183.7
[M+NH4]+ 494.05469 187.3
[M+K]+ 514.98403 185.9
[M+H-H2O]+ 459.01813 169.7
[M+HCOO]- 521.01907 200.4
[M+CH3COO]- 535.03472 231.1
[M+Na-2H]- 496.99554 172.7
[M]+ 476.02032 182.1
[M]- 476.02142 182.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe