CID 80937

Einecs 229-279-9

Structural Information

Molecular Formula
C21H19N5O3
SMILES
CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)O)N=NC3=CC=C(C=C3)NC(=O)OC
InChI
InChI=1S/C21H19N5O3/c1-14-13-18(25-23-17-7-10-19(27)11-8-17)9-12-20(14)26-24-16-5-3-15(4-6-16)22-21(28)29-2/h3-13,27H,1-2H3,(H,22,28)
InChIKey
AIIYSSBNDAQLIG-UHFFFAOYSA-N
Compound name
methyl N-[4-[[4-[(4-hydroxyphenyl)diazenyl]-2-methylphenyl]diazenyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

389.1488 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15608 191.6
[M+Na]+ 412.13802 197.2
[M-H]- 388.14152 205.5
[M+NH4]+ 407.18262 203.0
[M+K]+ 428.11196 194.9
[M+H-H2O]+ 372.14606 179.5
[M+HCOO]- 434.14700 224.2
[M+CH3COO]- 448.16265 238.6
[M+Na-2H]- 410.12347 198.0
[M]+ 389.14825 195.1
[M]- 389.14935 195.1
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.