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 176.6
[M+Na]+ 324.20464 180.7
[M-H]- 300.20814 183.0
[M+NH4]+ 319.24924 192.4
[M+K]+ 340.17858 178.1
[M+H-H2O]+ 284.21268 168.2
[M+HCOO]- 346.21362 197.5
[M+CH3COO]- 360.22927 214.2
[M+Na-2H]- 322.19009 173.8
[M]+ 301.21487 175.1
[M]- 301.21597 175.1
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.