CID 78707

Methanone, bis(3,4-diaminophenyl)-

Structural Information

Molecular Formula
C13H14N4O
SMILES
C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)N)N)N)N
InChI
InChI=1S/C13H14N4O/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6H,14-17H2
InChIKey
NLNRQJQXCQVDQJ-UHFFFAOYSA-N
Compound name
bis(3,4-diaminophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

1610
Patents

242.11676 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.124036 155.1
[M+Na]+ 265.105978 162.5
[M-H]- 241.109484 161.0
[M+NH4]+ 260.150583 170.6
[M+K]+ 281.079918 158.2
[M+H-H2O]+ 225.114020 147.3
[M+HCOO]- 287.114961 180.6
[M+CH3COO]- 301.130611 204.4
[M+Na-2H]- 263.091426 156.8
[M]+ 242.11621142 148.8
[M]- 242.11730858 148.8
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