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

592
Patents

162.09055 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.097826 134.1
[M+Na]+ 185.079768 139.6
[M-H]- 161.083274 137.2
[M+NH4]+ 180.124373 152.8
[M+K]+ 201.053708 137.0
[M+H-H2O]+ 145.087810 127.5
[M+HCOO]- 207.088751 160.1
[M+CH3COO]- 221.104401 188.4
[M+Na-2H]- 183.065216 138.6
[M]+ 162.09000142 126.3
[M]- 162.09109858 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

literature stripe

Patent stripe

patents stripe