CID 6445855

1-(6-ethyl-o-tolyl)-3-(1-methyl-2-pyrrolidinylidene)urea sulfate

Structural Information

Molecular Formula
C15H21N3O
SMILES
CCC1=CC=CC(=C1NC(=O)/N=C\2/CCCN2C)C
InChI
InChI=1S/C15H21N3O/c1-4-12-8-5-7-11(2)14(12)17-15(19)16-13-9-6-10-18(13)3/h5,7-8H,4,6,9-10H2,1-3H3,(H,17,19)/b16-13-
InChIKey
JJUHGGLXPCTZGK-SSZFMOIBSA-N
Compound name
(3Z)-1-(2-ethyl-6-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 162.5
[M+Na]+ 282.15768 168.5
[M-H]- 258.16118 169.2
[M+NH4]+ 277.20228 180.2
[M+K]+ 298.13162 165.5
[M+H-H2O]+ 242.16572 154.3
[M+HCOO]- 304.16666 186.4
[M+CH3COO]- 318.18231 203.3
[M+Na-2H]- 280.14313 163.6
[M]+ 259.16791 161.2
[M]- 259.16901 161.2
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.