CID 110605

Einecs 271-510-0

Structural Information

Molecular Formula
C33H47N3
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
InChI
InChI=1S/C33H47N3/c1-9-34(10-2)28-17-15-27(16-18-28)33(31-21-19-29(23-25(31)7)35(11-3)12-4)32-22-20-30(24-26(32)8)36(13-5)14-6/h15-24,33H,9-14H2,1-8H3
InChIKey
JDEVVVLLEIZNAL-UHFFFAOYSA-N
Compound name
4-[[4-(diethylamino)-2-methylphenyl]-[4-(diethylamino)phenyl]methyl]-N,N-diethyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

357
Patents

485.37698 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.38426 232.6
[M+Na]+ 508.36620 234.0
[M-H]- 484.36970 244.5
[M+NH4]+ 503.41080 240.9
[M+K]+ 524.34014 230.3
[M+H-H2O]+ 468.37424 220.0
[M+HCOO]- 530.37518 254.8
[M+CH3COO]- 544.39083 265.1
[M+Na-2H]- 506.35165 227.0
[M]+ 485.37643 238.3
[M]- 485.37753 238.3
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