CID 75839

Propyl red

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CCCN(CCC)C1=CC=C(C=C1)N=NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C19H23N3O2/c1-3-13-22(14-4-2)16-11-9-15(10-12-16)20-21-18-8-6-5-7-17(18)19(23)24/h5-12H,3-4,13-14H2,1-2H3,(H,23,24)
InChIKey
LIIDWKDFORMMDQ-UHFFFAOYSA-N
Compound name
2-[[4-(dipropylamino)phenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

236
Patents

325.17902 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18630 180.1
[M+Na]+ 348.16824 191.4
[M+NH4]+ 343.21284 187.1
[M+K]+ 364.14218 183.9
[M-H]- 324.17174 185.9
[M+Na-2H]- 346.15369 188.4
[M]+ 325.17847 183.2
[M]- 325.17957 183.2
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

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