CID 85205

15958-43-7

Structural Information

Molecular Formula
C23H25N7O4
SMILES
CCCCNC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N
InChI
InChI=1S/C23H25N7O4/c1-2-3-12-26-23(31)34-15-14-29(13-4-11-24)20-7-5-19(6-8-20)27-28-22-10-9-21(30(32)33)16-18(22)17-25/h5-10,16H,2-4,12-15H2,1H3,(H,26,31)
InChIKey
IYJLCWHPPXDSPO-UHFFFAOYSA-N
Compound name
2-[N-(2-cyanoethyl)-4-[(2-cyano-4-nitrophenyl)diazenyl]anilino]ethyl N-butylcarbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

463.1968 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.20408 225.0
[M+Na]+ 486.18602 231.1
[M+NH4]+ 481.23062 223.0
[M+K]+ 502.15996 221.3
[M-H]- 462.18952 217.7
[M+Na-2H]- 484.17147 222.6
[M]+ 463.19625 222.3
[M]- 463.19735 222.3
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