CID 69250380

Dtxsid401017882

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CC(C)OC(=O)N=NC1=C(C=CC(=C1)C2=CC=CC=C2)OC
InChI
InChI=1S/C17H18N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKey
AGTBLMHWQIEASU-UHFFFAOYSA-N
Compound name
propan-2-yl N-(2-methoxy-5-phenylphenyl)iminocarbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

10
Patents

298.13174 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 169.6
[M+Na]+ 321.12096 175.8
[M-H]- 297.12446 179.0
[M+NH4]+ 316.16556 185.3
[M+K]+ 337.09490 174.6
[M+H-H2O]+ 281.12900 160.4
[M+HCOO]- 343.12994 197.0
[M+CH3COO]- 357.14559 212.5
[M+Na-2H]- 319.10641 173.8
[M]+ 298.13119 174.1
[M]- 298.13229 174.1
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