CID 122470

Disperse red 135

Structural Information

Molecular Formula
C27H27N5O7
SMILES
CC(=O)OCCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C27H27N5O7/c1-19(33)38-16-14-31(15-17-39-20(2)34)24-12-13-25(30-29-22-8-10-23(11-9-22)32(36)37)26(18-24)28-27(35)21-6-4-3-5-7-21/h3-13,18H,14-17H2,1-2H3,(H,28,35)
InChIKey
ORNBGJQGKJZRNY-UHFFFAOYSA-N
Compound name
2-[N-(2-acetyloxyethyl)-3-benzamido-4-[(4-nitrophenyl)diazenyl]anilino]ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

130
Patents

533.19104 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 534.19832 223.4
[M+Na]+ 556.18026 232.5
[M+NH4]+ 551.22486 226.0
[M+K]+ 572.15420 229.9
[M-H]- 532.18376 230.4
[M+Na-2H]- 554.16571 230.5
[M]+ 533.19049 226.0
[M]- 533.19159 226.0
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

patents stripe