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
3
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]+ 390.156076 191.6
[M+Na]+ 412.138018 197.2
[M-H]- 388.141524 205.5
[M+NH4]+ 407.182623 203.0
[M+K]+ 428.111958 194.9
[M+H-H2O]+ 372.146060 179.5
[M+HCOO]- 434.147001 224.2
[M+CH3COO]- 448.162651 238.6
[M+Na-2H]- 410.123466 198.0
[M]+ 389.14825142 195.1
[M]- 389.14934858 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.