CID 113246

63467-05-0

Structural Information

Molecular Formula
C15H16N4O3
SMILES
CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])NCCO
InChI
InChI=1S/C15H16N4O3/c1-11-10-13(4-7-15(11)16-8-9-20)18-17-12-2-5-14(6-3-12)19(21)22/h2-7,10,16,20H,8-9H2,1H3
InChIKey
XPNPVCPVYKXTJO-UHFFFAOYSA-N
Compound name
2-[2-methyl-4-[(4-nitrophenyl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

300.12225 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12953 165.4
[M+Na]+ 323.11147 170.5
[M-H]- 299.11497 173.5
[M+NH4]+ 318.15607 179.2
[M+K]+ 339.08541 163.5
[M+H-H2O]+ 283.11951 160.6
[M+HCOO]- 345.12045 195.1
[M+CH3COO]- 359.13610 207.7
[M+Na-2H]- 321.09692 173.7
[M]+ 300.12170 164.9
[M]- 300.12280 164.9
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