CID 365517

Nsc633205

Structural Information

Molecular Formula
C22H21N5O
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=NC4=C(O3)N=CC=C4
InChI
InChI=1S/C22H21N5O/c1-3-27(4-2)19-13-11-18(12-14-19)26-25-17-9-7-16(8-10-17)21-24-20-6-5-15-23-22(20)28-21/h5-15H,3-4H2,1-2H3
InChIKey
XYKLAAMYYOXMHR-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[[4-([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.17462 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18190 190.2
[M+Na]+ 394.16384 198.3
[M-H]- 370.16734 203.2
[M+NH4]+ 389.20844 201.7
[M+K]+ 410.13778 194.6
[M+H-H2O]+ 354.17188 177.8
[M+HCOO]- 416.17282 218.1
[M+CH3COO]- 430.18847 201.7
[M+Na-2H]- 392.14929 197.5
[M]+ 371.17407 196.4
[M]- 371.17517 196.4
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.