CID 8683

2,4-diaminodiphenylamine

Structural Information

Molecular Formula
C12H13N3
SMILES
C1=CC=C(C=C1)NC2=C(C=C(C=C2)N)N
InChI
InChI=1S/C12H13N3/c13-9-6-7-12(11(14)8-9)15-10-4-2-1-3-5-10/h1-8,15H,13-14H2
InChIKey
VOSLIUIVGWBSOK-UHFFFAOYSA-N
Compound name
1-N-phenylbenzene-1,2,4-triamine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

974
Patents

199.11095 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.118226 142.0
[M+Na]+ 222.100168 148.9
[M-H]- 198.103674 148.2
[M+NH4]+ 217.144773 159.8
[M+K]+ 238.074108 144.6
[M+H-H2O]+ 182.108210 134.6
[M+HCOO]- 244.109151 168.9
[M+CH3COO]- 258.124801 192.0
[M+Na-2H]- 220.085616 148.9
[M]+ 199.11040142 137.2
[M]- 199.11149858 137.2
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