CID 159756

Terephthalamidine

Structural Information

Molecular Formula
C8H10N4
SMILES
C1=CC(=CC=C1C(=N)N)C(=N)N
InChI
InChI=1S/C8H10N4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H3,9,10)(H3,11,12)
InChIKey
UNMMLGAPDZGRJJ-UHFFFAOYSA-N
Compound name
benzene-1,4-dicarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

589
Patents

162.09055 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09783 134.1
[M+Na]+ 185.07977 139.6
[M-H]- 161.08327 137.2
[M+NH4]+ 180.12437 152.8
[M+K]+ 201.05371 137.0
[M+H-H2O]+ 145.08781 127.5
[M+HCOO]- 207.08875 160.1
[M+CH3COO]- 221.10440 188.4
[M+Na-2H]- 183.06522 138.6
[M]+ 162.09000 126.3
[M]- 162.09110 126.3
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.