CID 6446894

1-(2,6-diisopropylphenyl)-3-(1-methyl-2-pyrrolidinylidene)urea hydrochloride

Structural Information

Molecular Formula
C18H27N3O
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)/N=C\2/CCCN2C
InChI
InChI=1S/C18H27N3O/c1-12(2)14-8-6-9-15(13(3)4)17(14)20-18(22)19-16-10-7-11-21(16)5/h6,8-9,12-13H,7,10-11H2,1-5H3,(H,20,22)/b19-16-
InChIKey
NXTILYNRUHWDRG-MNDPQUGUSA-N
Compound name
(3Z)-1-[2,6-di(propan-2-yl)phenyl]-3-(1-methylpyrrolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.21542 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 176.5
[M+Na]+ 324.20464 185.2
[M+NH4]+ 319.24924 183.1
[M+K]+ 340.17858 181.4
[M-H]- 300.20814 179.8
[M+Na-2H]- 322.19009 180.6
[M]+ 301.21487 178.3
[M]- 301.21597 178.3
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.