CID 69473

637-31-0

Structural Information

Molecular Formula
C16H21N3
SMILES
CN(C)C1=CC=C(C=C1)NC2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C16H21N3/c1-18(2)15-9-5-13(6-10-15)17-14-7-11-16(12-8-14)19(3)4/h5-12,17H,1-4H3
InChIKey
ZPGZNKGKCSYBGK-UHFFFAOYSA-N
Compound name
1-N-[4-(dimethylamino)phenyl]-4-N,4-N-dimethylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

690
Patents

255.17355 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.18083 161.1
[M+Na]+ 278.16277 166.4
[M-H]- 254.16627 170.5
[M+NH4]+ 273.20737 178.5
[M+K]+ 294.13671 164.8
[M+H-H2O]+ 238.17081 152.3
[M+HCOO]- 300.17175 188.9
[M+CH3COO]- 314.18740 212.0
[M+Na-2H]- 276.14822 166.2
[M]+ 255.17300 162.1
[M]- 255.17410 162.1
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