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

literature stripe

Patent stripe

patents stripe