CID 3085936

73157-53-6

Structural Information

Molecular Formula
C18H20ClN5O3
SMILES
CCC(=O)NC1=C(C=CC(=C1)NC(C)C)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H20ClN5O3/c1-4-18(25)21-17-9-12(20-11(2)3)5-7-16(17)23-22-15-8-6-13(24(26)27)10-14(15)19/h5-11,20H,4H2,1-3H3,(H,21,25)
InChIKey
OMWNCRNLGLQYLY-UHFFFAOYSA-N
Compound name
N-[2-[(2-chloro-4-nitrophenyl)diazenyl]-5-(propan-2-ylamino)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.12546 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.13274 190.9
[M+Na]+ 412.11468 202.5
[M+NH4]+ 407.15928 197.0
[M+K]+ 428.08862 198.0
[M-H]- 388.11818 197.9
[M+Na-2H]- 410.10013 197.7
[M]+ 389.12491 194.4
[M]- 389.12601 194.4
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.