CID 22951

Xylamidine

Structural Information

Molecular Formula
C19H24N2O2
SMILES
CC1=CC(=CC=C1)CC(=NCC(C)OC2=CC=CC(=C2)OC)N
InChI
InChI=1S/C19H24N2O2/c1-14-6-4-7-16(10-14)11-19(20)21-13-15(2)23-18-9-5-8-17(12-18)22-3/h4-10,12,15H,11,13H2,1-3H3,(H2,20,21)
InChIKey
JRYTUFKIORWTNI-UHFFFAOYSA-N
Compound name
N'-[2-(3-methoxyphenoxy)propyl]-2-(3-methylphenyl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

31
References

245
Patents

312.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.191056 177.3
[M+Na]+ 335.172998 181.8
[M-H]- 311.176504 184.3
[M+NH4]+ 330.217603 191.5
[M+K]+ 351.146938 178.9
[M+H-H2O]+ 295.181040 168.1
[M+HCOO]- 357.181981 201.4
[M+CH3COO]- 371.197631 215.4
[M+Na-2H]- 333.158446 178.8
[M]+ 312.18323142 179.1
[M]- 312.18432858 179.1
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