CID 5871516

329778-58-7

Structural Information

Molecular Formula
C20H22INO
SMILES
CC1=C(C=C(C=C1)NC(=O)/C=C/C2=CC=C(C=C2)CC(C)C)I
InChI
InChI=1S/C20H22INO/c1-14(2)12-17-7-5-16(6-8-17)9-11-20(23)22-18-10-4-15(3)19(21)13-18/h4-11,13-14H,12H2,1-3H3,(H,22,23)/b11-9+
InChIKey
IXBIYXQEGDVQPQ-PKNBQFBNSA-N
Compound name
(E)-N-(3-iodo-4-methylphenyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.07462 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.08190 188.4
[M+Na]+ 442.06384 187.0
[M-H]- 418.06734 187.2
[M+NH4]+ 437.10844 198.0
[M+K]+ 458.03778 187.8
[M+H-H2O]+ 402.07188 176.4
[M+HCOO]- 464.07282 204.7
[M+CH3COO]- 478.08847 218.7
[M+Na-2H]- 440.04929 176.4
[M]+ 419.07407 185.8
[M]- 419.07517 185.8
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.