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 192.8
[M+Na]+ 412.11468 197.1
[M-H]- 388.11818 201.6
[M+NH4]+ 407.15928 204.1
[M+K]+ 428.08862 189.6
[M+H-H2O]+ 372.12272 188.3
[M+HCOO]- 434.12366 217.4
[M+CH3COO]- 448.13931 228.9
[M+Na-2H]- 410.10013 196.5
[M]+ 389.12491 195.2
[M]- 389.12601 195.2
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.