CID 84752

Benzenamine, 4,4'-(phenylmethylene)bis[n,n-diethyl-3-methyl-

Structural Information

Molecular Formula
C29H38N2
SMILES
CCN(CC)C1=CC(=C(C=C1)C(C2=CC=CC=C2)C3=C(C=C(C=C3)N(CC)CC)C)C
InChI
InChI=1S/C29H38N2/c1-7-30(8-2)25-16-18-27(22(5)20-25)29(24-14-12-11-13-15-24)28-19-17-26(21-23(28)6)31(9-3)10-4/h11-21,29H,7-10H2,1-6H3
InChIKey
XXWVEJFXXLLAIB-UHFFFAOYSA-N
Compound name
4-[[4-(diethylamino)-2-methylphenyl]-phenylmethyl]-N,N-diethyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2363
Patents

414.3035 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.31078 210.3
[M+Na]+ 437.29272 213.4
[M-H]- 413.29622 221.4
[M+NH4]+ 432.33732 221.1
[M+K]+ 453.26666 208.9
[M+H-H2O]+ 397.30076 198.9
[M+HCOO]- 459.30170 232.6
[M+CH3COO]- 473.31735 244.2
[M+Na-2H]- 435.27817 207.8
[M]+ 414.30295 213.7
[M]- 414.30405 213.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe