CID 6509876

Brn 0410202

Structural Information

Molecular Formula
C13H16ClN3O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)/N=C\2/CCCN2C
InChI
InChI=1S/C13H16ClN3O/c1-9-5-3-6-10(14)12(9)16-13(18)15-11-7-4-8-17(11)2/h3,5-6H,4,7-8H2,1-2H3,(H,16,18)/b15-11-
InChIKey
FLNKNJPTMRMDKC-PTNGSMBKSA-N
Compound name
(3Z)-1-(2-chloro-6-methylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

265.09818 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.10546 160.3
[M+Na]+ 288.08740 171.5
[M+NH4]+ 283.13200 168.1
[M+K]+ 304.06134 166.3
[M-H]- 264.09090 164.1
[M+Na-2H]- 286.07285 166.4
[M]+ 265.09763 162.9
[M]- 265.09873 162.9
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