CID 25070

Formamido zectran

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC1=CC(=CC(=C1NC=O)C)OC(=O)NC
InChI
InChI=1S/C11H14N2O3/c1-7-4-9(16-11(15)12-3)5-8(2)10(7)13-6-14/h4-6H,1-3H3,(H,12,15)(H,13,14)
InChIKey
JIYAGTDSFMORMI-UHFFFAOYSA-N
Compound name
(4-formamido-3,5-dimethylphenyl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.10045 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.10773 147.8
[M+Na]+ 245.08967 155.7
[M-H]- 221.09317 152.2
[M+NH4]+ 240.13427 166.2
[M+K]+ 261.06361 154.2
[M+H-H2O]+ 205.09771 141.3
[M+HCOO]- 267.09865 173.8
[M+CH3COO]- 281.11430 194.8
[M+Na-2H]- 243.07512 152.2
[M]+ 222.09990 150.2
[M]- 222.10100 150.2
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