CID 407889

6286-17-5

Structural Information

Molecular Formula
C19H24N4O6
SMILES
CC1=CC(=C(C=C1C)N=NC2=CC=C(C=C2)[N+](=O)[O-])NCC(C(C(CO)O)O)O
InChI
InChI=1S/C19H24N4O6/c1-11-7-15(20-9-17(25)19(27)18(26)10-24)16(8-12(11)2)22-21-13-3-5-14(6-4-13)23(28)29/h3-8,17-20,24-27H,9-10H2,1-2H3
InChIKey
ZAQVZMOTWPKVMD-UHFFFAOYSA-N
Compound name
5-[4,5-dimethyl-2-[(4-nitrophenyl)diazenyl]anilino]pentane-1,2,3,4-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.1696 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.17688 190.1
[M+Na]+ 427.15882 191.2
[M-H]- 403.16232 193.7
[M+NH4]+ 422.20342 197.1
[M+K]+ 443.13276 185.4
[M+H-H2O]+ 387.16686 185.2
[M+HCOO]- 449.16780 211.4
[M+CH3COO]- 463.18345 222.8
[M+Na-2H]- 425.14427 191.9
[M]+ 404.16905 188.1
[M]- 404.17015 188.1
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.