CID 83391

13377-98-5

Structural Information

Molecular Formula
C18H19N5O4
SMILES
CC1=C(C=CC(=C1)N(CCC#N)CCO)N=NC2=C(C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C18H19N5O4/c1-13-11-14(22(9-10-24)8-2-7-19)3-5-16(13)20-21-17-6-4-15(23(26)27)12-18(17)25/h3-6,11-12,24-25H,2,8-10H2,1H3
InChIKey
AOMPWZIIJWGZLI-UHFFFAOYSA-N
Compound name
3-[N-(2-hydroxyethyl)-4-[(2-hydroxy-4-nitrophenyl)diazenyl]-3-methylanilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1437 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15098 189.6
[M+Na]+ 392.13292 199.9
[M+NH4]+ 387.17752 191.7
[M+K]+ 408.10686 192.8
[M-H]- 368.13642 187.7
[M+Na-2H]- 390.11837 192.6
[M]+ 369.14315 189.3
[M]- 369.14425 189.3
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

No patent data available for this compound.