CID 106693

Einecs 266-444-4

Structural Information

Molecular Formula
C22H25N7O6
SMILES
CCCCC(C)NC1=C(C=C(C(=C1)NC(=O)C)N=NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C#N)OC
InChI
InChI=1S/C22H25N7O6/c1-5-6-7-13(2)24-19-10-17(25-14(3)30)18(11-21(19)35-4)26-27-22-15(12-23)8-16(28(31)32)9-20(22)29(33)34/h8-11,13,24H,5-7H2,1-4H3,(H,25,30)
InChIKey
NBZOZPOZCNYOOL-UHFFFAOYSA-N
Compound name
N-[2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-(hexan-2-ylamino)-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

483.18665 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.19393 223.2
[M+Na]+ 506.17587 225.3
[M-H]- 482.17937 228.8
[M+NH4]+ 501.22047 269.2
[M+K]+ 522.14981 216.6
[M+H-H2O]+ 466.18391 213.5
[M+HCOO]- 528.18485 273.8
[M+CH3COO]- 542.20050 248.4
[M+Na-2H]- 504.16132 224.5
[M]+ 483.18610 217.9
[M]- 483.18720 217.9
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

No patent data available for this compound.