CID 150084

2-methyl-4-(phenylazo)-1,3-benzenediamine

Structural Information

Molecular Formula
C13H14N4
SMILES
CC1=C(C=CC(=C1N)N=NC2=CC=CC=C2)N
InChI
InChI=1S/C13H14N4/c1-9-11(14)7-8-12(13(9)15)17-16-10-5-3-2-4-6-10/h2-8H,14-15H2,1H3
InChIKey
CAGBLWRDOQVQDD-UHFFFAOYSA-N
Compound name
2-methyl-4-phenyldiazenylbenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.12184 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.12912 149.8
[M+Na]+ 249.11106 157.6
[M-H]- 225.11456 159.0
[M+NH4]+ 244.15566 167.9
[M+K]+ 265.08500 154.3
[M+H-H2O]+ 209.11910 141.3
[M+HCOO]- 271.12004 180.5
[M+CH3COO]- 285.13569 204.8
[M+Na-2H]- 247.09651 156.5
[M]+ 226.12129 147.9
[M]- 226.12239 147.9
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