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
3
Annotation Hits

0
References

204
Patents

374.1743 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.181576 200.2
[M+Na]+ 397.163518 206.9
[M-H]- 373.167024 204.1
[M+NH4]+ 392.208123 207.2
[M+K]+ 413.137458 201.5
[M+H-H2O]+ 357.171560 182.3
[M+HCOO]- 419.172501 211.6
[M+CH3COO]- 433.188151 242.8
[M+Na-2H]- 395.148966 197.3
[M]+ 374.17375142 192.5
[M]- 374.17484858 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