CID 342523

Nsc379504

Structural Information

Molecular Formula
C13H14N6
SMILES
C1=CC(=CC=C1C(=N)N)N=NC2=C(C=C(C=C2)N)N
InChI
InChI=1S/C13H14N6/c14-9-3-6-12(11(15)7-9)19-18-10-4-1-8(2-5-10)13(16)17/h1-7H,14-15H2,(H3,16,17)
InChIKey
ACTOCTBCWSQKNV-UHFFFAOYSA-N
Compound name
4-[(2,4-diaminophenyl)diazenyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.12799 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.13527 155.7
[M+Na]+ 277.11721 161.9
[M-H]- 253.12071 164.4
[M+NH4]+ 272.16181 171.4
[M+K]+ 293.09115 158.6
[M+H-H2O]+ 237.12525 146.6
[M+HCOO]- 299.12619 186.8
[M+CH3COO]- 313.14184 215.2
[M+Na-2H]- 275.10266 161.2
[M]+ 254.12744 150.3
[M]- 254.12854 150.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.