CID 135600389

863763-96-6

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CC1=C(NC(=C1C(=O)C)C)N=NC2=CC=CC(=C2)C(=O)O
InChI
InChI=1S/C15H15N3O3/c1-8-13(10(3)19)9(2)16-14(8)18-17-12-6-4-5-11(7-12)15(20)21/h4-7,16H,1-3H3,(H,20,21)
InChIKey
ZOSPVPUJOQGNSM-UHFFFAOYSA-N
Compound name
3-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 164.5
[M+Na]+ 308.10055 172.4
[M-H]- 284.10405 171.0
[M+NH4]+ 303.14515 180.3
[M+K]+ 324.07449 169.4
[M+H-H2O]+ 268.10859 156.5
[M+HCOO]- 330.10953 189.2
[M+CH3COO]- 344.12518 207.2
[M+Na-2H]- 306.08600 165.4
[M]+ 285.11078 166.2
[M]- 285.11188 166.2
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.