CID 78234

4482-70-6

Structural Information

Molecular Formula
C34H49N3
SMILES
CCN(CC)C1=CC(=C(C=C1)C(C2=C(C=C(C=C2)N(CC)CC)C)C3=C(C=C(C=C3)N(CC)CC)C)C
InChI
InChI=1S/C34H49N3/c1-10-35(11-2)28-16-19-31(25(7)22-28)34(32-20-17-29(23-26(32)8)36(12-3)13-4)33-21-18-30(24-27(33)9)37(14-5)15-6/h16-24,34H,10-15H2,1-9H3
InChIKey
OKJSFKIUVDXFMS-UHFFFAOYSA-N
Compound name
4-[bis[4-(diethylamino)-2-methylphenyl]methyl]-N,N-diethyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

835
Patents

499.39264 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.39992 237.7
[M+Na]+ 522.38186 250.9
[M+NH4]+ 517.42646 245.0
[M+K]+ 538.35580 240.5
[M-H]- 498.38536 247.6
[M+Na-2H]- 520.36731 246.0
[M]+ 499.39209 242.7
[M]- 499.39319 242.7
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