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]+ 244.108046 155.7
[M+Na]+ 266.089988 164.4
[M-H]- 242.093494 160.7
[M+NH4]+ 261.134593 171.6
[M+K]+ 282.063928 160.5
[M+H-H2O]+ 226.098030 140.8
[M+HCOO]- 288.098971 175.4
[M+CH3COO]- 302.114621 205.9
[M+Na-2H]- 264.075436 157.7
[M]+ 243.10022142 150.0
[M]- 243.10131858 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.