CID 3071656

N-(2-(7-methoxynaphth-1-yl)ethyl)iodoacetamide

Structural Information

Molecular Formula
C15H16INO2
SMILES
COC1=CC2=C(C=CC=C2CCNC(=O)CI)C=C1
InChI
InChI=1S/C15H16INO2/c1-19-13-6-5-11-3-2-4-12(14(11)9-13)7-8-17-15(18)10-16/h2-6,9H,7-8,10H2,1H3,(H,17,18)
InChIKey
DNMVMHOPCNFGIC-UHFFFAOYSA-N
Compound name
2-iodo-N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

369.02258 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.02986 170.3
[M+Na]+ 392.01180 169.9
[M-H]- 368.01530 167.1
[M+NH4]+ 387.05640 182.8
[M+K]+ 407.98574 172.4
[M+H-H2O]+ 352.01984 159.3
[M+HCOO]- 414.02078 187.7
[M+CH3COO]- 428.03643 207.6
[M+Na-2H]- 389.99725 163.4
[M]+ 369.02203 169.6
[M]- 369.02313 169.6
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