CID 4339190

624726-20-1

Structural Information

Molecular Formula
C22H24N4O4
SMILES
CC1=CC=C(C=C1)NCCCC(=O)N=NC2=C(N(C3=CC=CC=C32)CC(=O)OC)O
InChI
InChI=1S/C22H24N4O4/c1-15-9-11-16(12-10-15)23-13-5-8-19(27)24-25-21-17-6-3-4-7-18(17)26(22(21)29)14-20(28)30-2/h3-4,6-7,9-12,23,29H,5,8,13-14H2,1-2H3
InChIKey
CRCPVKNQISFIKJ-UHFFFAOYSA-N
Compound name
methyl 2-[2-hydroxy-3-[4-(4-methylanilino)butanoyldiazenyl]indol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.17975 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.187026 197.2
[M+Na]+ 431.168968 203.4
[M-H]- 407.172474 205.3
[M+NH4]+ 426.213573 209.0
[M+K]+ 447.142908 200.0
[M+H-H2O]+ 391.177010 187.0
[M+HCOO]- 453.177951 223.2
[M+CH3COO]- 467.193601 234.0
[M+Na-2H]- 429.154416 199.8
[M]+ 408.17920142 203.8
[M]- 408.18029858 203.8
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.