CID 84756

Usaf gy-1

Structural Information

Molecular Formula
C20H20N2
SMILES
CC1=CC=CC=C1NC2=CC=C(C=C2)NC3=CC=CC=C3C
InChI
InChI=1S/C20H20N2/c1-15-7-3-5-9-19(15)21-17-11-13-18(14-12-17)22-20-10-6-4-8-16(20)2/h3-14,21-22H,1-2H3
InChIKey
MDZBMZIJIUEQJS-UHFFFAOYSA-N
Compound name
1-N,4-N-bis(2-methylphenyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

813
Patents

288.16266 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.169936 168.4
[M+Na]+ 311.151878 174.9
[M-H]- 287.155384 178.1
[M+NH4]+ 306.196483 183.2
[M+K]+ 327.125818 168.8
[M+H-H2O]+ 271.159920 159.1
[M+HCOO]- 333.160861 194.0
[M+CH3COO]- 347.176511 179.9
[M+Na-2H]- 309.137326 174.4
[M]+ 288.16211142 166.7
[M]- 288.16320858 166.7
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