CID 3074555

N-cyano-1-(4-methoxybenzoyl)-2-pyrrolidinimine

Structural Information

Molecular Formula
C13H13N3O2
SMILES
COC1=CC=C(C=C1)C(=O)N2CCCC2=NC#N
InChI
InChI=1S/C13H13N3O2/c1-18-11-6-4-10(5-7-11)13(17)16-8-2-3-12(16)15-9-14/h4-7H,2-3,8H2,1H3
InChIKey
CNQQVQKKJJUKHA-UHFFFAOYSA-N
Compound name
[1-(4-methoxybenzoyl)pyrrolidin-2-ylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 158.1
[M+Na]+ 266.08999 168.3
[M+NH4]+ 261.13459 161.8
[M+K]+ 282.06393 160.7
[M-H]- 242.09349 153.3
[M+Na-2H]- 264.07544 161.2
[M]+ 243.10022 157.1
[M]- 243.10132 157.1
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.

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No patent data available for this compound.