CID 593244

2,5-bis(1-naphthamido)terephthalic acid

Structural Information

Molecular Formula
C30H20N2O6
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)NC3=CC(=C(C=C3C(=O)O)NC(=O)C4=CC=CC5=CC=CC=C54)C(=O)O
InChI
InChI=1S/C30H20N2O6/c33-27(21-13-5-9-17-7-1-3-11-19(17)21)31-25-15-24(30(37)38)26(16-23(25)29(35)36)32-28(34)22-14-6-10-18-8-2-4-12-20(18)22/h1-16H,(H,31,33)(H,32,34)(H,35,36)(H,37,38)
InChIKey
RTHKSIIZTFOIHL-UHFFFAOYSA-N
Compound name
2,5-bis(naphthalene-1-carbonylamino)terephthalic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

504.13214 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.13942 215.9
[M+Na]+ 527.12136 219.7
[M-H]- 503.12486 224.3
[M+NH4]+ 522.16596 220.5
[M+K]+ 543.09530 215.7
[M+H-H2O]+ 487.12940 204.5
[M+HCOO]- 549.13034 232.5
[M+CH3COO]- 563.14599 245.8
[M+Na-2H]- 525.10681 218.2
[M]+ 504.13159 216.3
[M]- 504.13269 216.3
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.