CID 3785115

3-((4-((4-cl-ph)diazenyl)-1-ho-2-naphthoyl)amino)-4-(dimethylamino)benzoic acid

Structural Information

Molecular Formula
C26H21ClN4O4
SMILES
CN(C)C1=C(C=C(C=C1)C(=O)O)NC(=O)C2=C(C3=CC=CC=C3C(=C2)N=NC4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C26H21ClN4O4/c1-31(2)23-12-7-15(26(34)35)13-22(23)28-25(33)20-14-21(18-5-3-4-6-19(18)24(20)32)30-29-17-10-8-16(27)9-11-17/h3-14,32H,1-2H3,(H,28,33)(H,34,35)
InChIKey
WSRFEIHFPCYUNG-UHFFFAOYSA-N
Compound name
3-[[4-[(4-chlorophenyl)diazenyl]-1-hydroxynaphthalene-2-carbonyl]amino]-4-(dimethylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

488.12512 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.13240 216.0
[M+Na]+ 511.11434 222.0
[M-H]- 487.11784 227.9
[M+NH4]+ 506.15894 224.0
[M+K]+ 527.08828 218.0
[M+H-H2O]+ 471.12238 205.4
[M+HCOO]- 533.12332 236.2
[M+CH3COO]- 547.13897 252.7
[M+Na-2H]- 509.09979 218.0
[M]+ 488.12457 221.1
[M]- 488.12567 221.1
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.