CID 19787587

70145-98-1

Structural Information

Molecular Formula
C23H26N2
SMILES
CC1=CC(=C(C=C1N)C)C(C2=CC=CC=C2)C3=C(C=C(C(=C3)C)N)C
InChI
InChI=1S/C23H26N2/c1-14-12-21(24)16(3)10-19(14)23(18-8-6-5-7-9-18)20-11-17(4)22(25)13-15(20)2/h5-13,23H,24-25H2,1-4H3
InChIKey
FHZDGQOFZGFKSC-UHFFFAOYSA-N
Compound name
4-[(4-amino-2,5-dimethylphenyl)-phenylmethyl]-2,5-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

330.2096 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.21688 184.8
[M+Na]+ 353.19882 192.4
[M-H]- 329.20232 194.2
[M+NH4]+ 348.24342 198.2
[M+K]+ 369.17276 185.9
[M+H-H2O]+ 313.20686 175.7
[M+HCOO]- 375.20780 207.0
[M+CH3COO]- 389.22345 221.6
[M+Na-2H]- 351.18427 183.5
[M]+ 330.20905 182.8
[M]- 330.21015 182.8
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