CID 6445855

Urea, 1-(6-ethyl-o-tolyl)-3-(1-methyl-2-pyrrolidinylidene)-, hydrogen sulfate (1:1)

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]+ 260.175736 162.5
[M+Na]+ 282.157678 168.5
[M-H]- 258.161184 169.2
[M+NH4]+ 277.202283 180.2
[M+K]+ 298.131618 165.5
[M+H-H2O]+ 242.165720 154.3
[M+HCOO]- 304.166661 186.4
[M+CH3COO]- 318.182311 203.3
[M+Na-2H]- 280.143126 163.6
[M]+ 259.16791142 161.2
[M]- 259.16900858 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.