CID 6446894

Urea, 1-(2,6-diisopropylphenyl)-3-(1-methyl-2-pyrrolidinylidene)-, 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]+ 302.222696 176.6
[M+Na]+ 324.204638 180.7
[M-H]- 300.208144 183.0
[M+NH4]+ 319.249243 192.4
[M+K]+ 340.178578 178.1
[M+H-H2O]+ 284.212680 168.2
[M+HCOO]- 346.213621 197.5
[M+CH3COO]- 360.229271 214.2
[M+Na-2H]- 322.190086 173.8
[M]+ 301.21487142 175.1
[M]- 301.21596858 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.