CID 81299

Einecs 229-955-3

Structural Information

Molecular Formula
C22H22N4O2
SMILES
CCN(CCOC(=O)NC1=CC=CC=C1)C2=CC(=C(C=C2)C=C(C#N)C#N)C
InChI
InChI=1S/C22H22N4O2/c1-3-26(11-12-28-22(27)25-20-7-5-4-6-8-20)21-10-9-19(17(2)13-21)14-18(15-23)16-24/h4-10,13-14H,3,11-12H2,1-2H3,(H,25,27)
InChIKey
KVQZMLBWGHLHTR-UHFFFAOYSA-N
Compound name
2-[4-(2,2-dicyanoethenyl)-N-ethyl-3-methylanilino]ethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

170
Patents

374.1743 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18158 200.2
[M+Na]+ 397.16352 206.9
[M-H]- 373.16702 204.1
[M+NH4]+ 392.20812 207.2
[M+K]+ 413.13746 201.5
[M+H-H2O]+ 357.17156 182.3
[M+HCOO]- 419.17250 211.6
[M+CH3COO]- 433.18815 242.8
[M+Na-2H]- 395.14897 197.3
[M]+ 374.17375 192.5
[M]- 374.17485 192.5
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