CID 216600

37481-44-0

Structural Information

Molecular Formula
C17H17IN2O
SMILES
CN1CCC2=C(C1)C=CC=C2NC(=O)C3=CC=CC=C3I
InChI
InChI=1S/C17H17IN2O/c1-20-10-9-13-12(11-20)5-4-8-16(13)19-17(21)14-6-2-3-7-15(14)18/h2-8H,9-11H2,1H3,(H,19,21)
InChIKey
NSUOXMUGKJHURE-UHFFFAOYSA-N
Compound name
2-iodo-N-(2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

392.03857 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.04585 171.2
[M+Na]+ 415.02779 170.3
[M-H]- 391.03129 169.3
[M+NH4]+ 410.07239 181.3
[M+K]+ 431.00173 171.4
[M+H-H2O]+ 375.03583 158.6
[M+HCOO]- 437.03677 185.2
[M+CH3COO]- 451.05242 177.4
[M+Na-2H]- 413.01324 164.0
[M]+ 392.03802 165.6
[M]- 392.03912 165.6
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

patents stripe