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]+ 344.212106 192.9
[M+Na]+ 366.194048 200.6
[M-H]- 342.197554 197.0
[M+NH4]+ 361.238653 201.4
[M+K]+ 382.167988 193.4
[M+H-H2O]+ 326.202090 175.4
[M+HCOO]- 388.203031 204.0
[M+CH3COO]- 402.218681 239.7
[M+Na-2H]- 364.179496 190.6
[M]+ 343.20428142 185.4
[M]- 343.20537858 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