CID 6509878

Brn 0414600

Structural Information

Molecular Formula
C12H13Cl2N3O
SMILES
CN\1CCC/C1=N/C(=O)NC2=C(C=CC=C2Cl)Cl
InChI
InChI=1S/C12H13Cl2N3O/c1-17-7-3-6-10(17)15-12(18)16-11-8(13)4-2-5-9(11)14/h2,4-5H,3,6-7H2,1H3,(H,16,18)/b15-10-
InChIKey
QEAOQDDOOFMMAH-GDNBJRDFSA-N
Compound name
(3Z)-1-(2,6-dichlorophenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

285.04358 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.05086 165.7
[M+Na]+ 308.03280 174.0
[M-H]- 284.03630 171.6
[M+NH4]+ 303.07740 183.4
[M+K]+ 324.00674 168.4
[M+H-H2O]+ 268.04084 158.8
[M+HCOO]- 330.04178 180.5
[M+CH3COO]- 344.05743 202.4
[M+Na-2H]- 306.01825 166.6
[M]+ 285.04303 166.4
[M]- 285.04413 166.4
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