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
2
Annotation Hits

0
References

4
Patents

389.1488 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.156076 192.8
[M+Na]+ 412.138018 198.9
[M-H]- 388.141524 206.8
[M+NH4]+ 407.182623 203.9
[M+K]+ 428.111958 191.6
[M+H-H2O]+ 372.146060 185.3
[M+HCOO]- 434.147001 225.2
[M+CH3COO]- 448.162651 233.8
[M+Na-2H]- 410.123466 199.6
[M]+ 389.14825142 194.9
[M]- 389.14934858 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