CID 105716

Benzenamine, 4,4'-[(2-chlorophenyl)methylene]bis[n-ethyl-2-methyl-

Structural Information

Molecular Formula
C25H29ClN2
SMILES
CCNC1=C(C=C(C=C1)C(C2=CC(=C(C=C2)NCC)C)C3=CC=CC=C3Cl)C
InChI
InChI=1S/C25H29ClN2/c1-5-27-23-13-11-19(15-17(23)3)25(21-9-7-8-10-22(21)26)20-12-14-24(28-6-2)18(4)16-20/h7-16,25,27-28H,5-6H2,1-4H3
InChIKey
PQXNGDLMOOLIHP-UHFFFAOYSA-N
Compound name
4-[(2-chlorophenyl)-[4-(ethylamino)-3-methylphenyl]methyl]-N-ethyl-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

392.20193 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.20921 200.0
[M+Na]+ 415.19115 206.5
[M-H]- 391.19465 209.2
[M+NH4]+ 410.23575 211.9
[M+K]+ 431.16509 198.4
[M+H-H2O]+ 375.19919 190.6
[M+HCOO]- 437.20013 218.3
[M+CH3COO]- 451.21578 230.7
[M+Na-2H]- 413.17660 199.9
[M]+ 392.20138 202.7
[M]- 392.20248 202.7
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