CID 3034398

Benzidine, tetramethyl-

Structural Information

Molecular Formula
C16H20N2
SMILES
CC1=C(C(=C(C(=C1C2=CC=C(C=C2)N)C)C)N)C
InChI
InChI=1S/C16H20N2/c1-9-11(3)16(18)12(4)10(2)15(9)13-5-7-14(17)8-6-13/h5-8H,17-18H2,1-4H3
InChIKey
MREDQCDWPUJMJO-UHFFFAOYSA-N
Compound name
4-(4-aminophenyl)-2,3,5,6-tetramethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

168
References

46277
Patents

240.16264 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.169916 158.1
[M+Na]+ 263.151858 167.9
[M-H]- 239.155364 165.3
[M+NH4]+ 258.196463 176.0
[M+K]+ 279.125798 162.9
[M+H-H2O]+ 223.159900 151.2
[M+HCOO]- 285.160841 182.5
[M+CH3COO]- 299.176491 203.8
[M+Na-2H]- 261.137306 159.3
[M]+ 240.16209142 156.9
[M]- 240.16318858 156.9
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