CID 44148995

Propanedinitrile, ((4-(butyl(2-phenylethyl)amino)-2-methylphenyl)methylene)-

Structural Information

Molecular Formula
C23H25N3
SMILES
CCCCN(CCC1=CC=CC=C1)C2=CC(=C(C=C2)C=C(C#N)C#N)C
InChI
InChI=1S/C23H25N3/c1-3-4-13-26(14-12-20-8-6-5-7-9-20)23-11-10-22(19(2)15-23)16-21(17-24)18-25/h5-11,15-16H,3-4,12-14H2,1-2H3
InChIKey
MRABUNQYANKRGL-UHFFFAOYSA-N
Compound name
2-[[4-[butyl(2-phenylethyl)amino]-2-methylphenyl]methylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

343.20483 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.21211 192.9
[M+Na]+ 366.19405 200.6
[M-H]- 342.19755 197.0
[M+NH4]+ 361.23865 201.4
[M+K]+ 382.16799 193.4
[M+H-H2O]+ 326.20209 175.4
[M+HCOO]- 388.20303 204.0
[M+CH3COO]- 402.21868 239.7
[M+Na-2H]- 364.17950 190.6
[M]+ 343.20428 185.4
[M]- 343.20538 185.4
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