CID 3017332

62308-13-8

Structural Information

Molecular Formula
C21H19N5O3
SMILES
CC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)O)C)C)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H19N5O3/c1-13-12-20(25-23-17-6-9-21(27)15(3)10-17)14(2)11-19(13)24-22-16-4-7-18(8-5-16)26(28)29/h4-12,27H,1-3H3
InChIKey
KTTUCENEGBNGPD-UHFFFAOYSA-N
Compound name
4-[[2,5-dimethyl-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

389.1488 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15608 192.8
[M+Na]+ 412.13802 198.9
[M-H]- 388.14152 206.8
[M+NH4]+ 407.18262 203.9
[M+K]+ 428.11196 191.6
[M+H-H2O]+ 372.14606 185.3
[M+HCOO]- 434.14700 225.2
[M+CH3COO]- 448.16265 233.8
[M+Na-2H]- 410.12347 199.6
[M]+ 389.14825 194.9
[M]- 389.14935 194.9
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