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 155.7
[M+Na]+ 266.08999 164.4
[M-H]- 242.09349 160.7
[M+NH4]+ 261.13459 171.6
[M+K]+ 282.06393 160.5
[M+H-H2O]+ 226.09803 140.8
[M+HCOO]- 288.09897 175.4
[M+CH3COO]- 302.11462 205.9
[M+Na-2H]- 264.07544 157.7
[M]+ 243.10022 150.0
[M]- 243.10132 150.0
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.