CID 6509879

50529-07-2

Structural Information

Molecular Formula
C16H23N3O
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)/N=C\2/CCCN2C
InChI
InChI=1S/C16H23N3O/c1-4-12-8-6-9-13(5-2)15(12)18-16(20)17-14-10-7-11-19(14)3/h6,8-9H,4-5,7,10-11H2,1-3H3,(H,18,20)/b17-14-
InChIKey
MCKILCYWBREFSV-VKAVYKQESA-N
Compound name
(3Z)-1-(2,6-diethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

273.1841 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 167.1
[M+Na]+ 296.17332 172.6
[M-H]- 272.17682 173.5
[M+NH4]+ 291.21792 184.2
[M+K]+ 312.14726 169.3
[M+H-H2O]+ 256.18136 158.6
[M+HCOO]- 318.18230 190.6
[M+CH3COO]- 332.19795 206.3
[M+Na-2H]- 294.15877 167.6
[M]+ 273.18355 166.1
[M]- 273.18465 166.1
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

patents stripe