CID 6181888

Nsc659615

Structural Information

Molecular Formula
C24H22N6O
SMILES
C/C(=N/NC(=O)/C(=C/C1=CC=C(C=C1)N(CCC#N)CCC#N)/C#N)/C2=CC=CC=C2
InChI
InChI=1S/C24H22N6O/c1-19(21-7-3-2-4-8-21)28-29-24(31)22(18-27)17-20-9-11-23(12-10-20)30(15-5-13-25)16-6-14-26/h2-4,7-12,17H,5-6,15-16H2,1H3,(H,29,31)/b22-17+,28-19-
InChIKey
HVGZOUQBMXBZMW-WTEWWNILSA-N
Compound name
(E)-3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-cyano-N-[(Z)-1-phenylethylideneamino]prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.18552 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.19280 201.6
[M+Na]+ 433.17474 206.5
[M-H]- 409.17824 204.9
[M+NH4]+ 428.21934 204.9
[M+K]+ 449.14868 201.8
[M+H-H2O]+ 393.18278 186.4
[M+HCOO]- 455.18372 206.2
[M+CH3COO]- 469.19937 253.7
[M+Na-2H]- 431.16019 196.6
[M]+ 410.18497 192.9
[M]- 410.18607 192.9
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.