CID 3822977

763132-47-4

Structural Information

Molecular Formula
C17H20INO2
SMILES
CC(C)C1=CC=C(C=C1)NCC2=C(C(=CC(=C2)I)OC)O
InChI
InChI=1S/C17H20INO2/c1-11(2)12-4-6-15(7-5-12)19-10-13-8-14(18)9-16(21-3)17(13)20/h4-9,11,19-20H,10H2,1-3H3
InChIKey
PSFHTYYDJYEZBJ-UHFFFAOYSA-N
Compound name
4-iodo-2-methoxy-6-[(4-propan-2-ylanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.0539 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.06118 182.6
[M+Na]+ 420.04312 182.2
[M-H]- 396.04662 180.8
[M+NH4]+ 415.08772 192.6
[M+K]+ 436.01706 184.2
[M+H-H2O]+ 380.05116 171.0
[M+HCOO]- 442.05210 199.1
[M+CH3COO]- 456.06775 212.9
[M+Na-2H]- 418.02857 171.9
[M]+ 397.05335 181.0
[M]- 397.05445 181.0
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.