CID 426831

73816-70-3

Structural Information

Molecular Formula
C15H23ClN3O2
SMILES
C[N+]1(CCOCC1)CCCNC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H22ClN3O2/c1-19(9-11-21-12-10-19)8-2-7-17-15(20)18-14-5-3-13(16)4-6-14/h3-6H,2,7-12H2,1H3,(H-,17,18,20)/p+1
InChIKey
BFMDTUHVYZNORD-UHFFFAOYSA-O
Compound name
1-(4-chlorophenyl)-3-[3-(4-methylmorpholin-4-ium-4-yl)propyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1479 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15518 171.6
[M+Na]+ 335.13712 175.2
[M-H]- 311.14062 176.3
[M+NH4]+ 330.18172 185.2
[M+K]+ 351.11106 166.3
[M+H-H2O]+ 295.14516 166.5
[M+HCOO]- 357.14610 185.7
[M+CH3COO]- 371.16175 198.7
[M+Na-2H]- 333.12257 178.8
[M]+ 312.14735 168.9
[M]- 312.14845 168.9
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

No patent data available for this compound.