CID 3079893

Brn 4266093

Structural Information

Molecular Formula
C14H20N4O3
SMILES
CCOC(=O)/C(=C/1\CCCN1CC(=O)N=CN(C)C)/C#N
InChI
InChI=1S/C14H20N4O3/c1-4-21-14(20)11(8-15)12-6-5-7-18(12)9-13(19)16-10-17(2)3/h10H,4-7,9H2,1-3H3/b12-11+,16-10?
InChIKey
YELWMQKVMDOLEL-MERKQMAKSA-N
Compound name
ethyl (2E)-2-cyano-2-[1-[2-(dimethylaminomethylideneamino)-2-oxoethyl]pyrrolidin-2-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15353 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16081 170.9
[M+Na]+ 315.14275 175.9
[M+NH4]+ 310.18735 171.8
[M+K]+ 331.11669 171.0
[M-H]- 291.14625 162.7
[M+Na-2H]- 313.12820 169.0
[M]+ 292.15298 167.7
[M]- 292.15408 167.7
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.