CID 109782

Einecs 269-308-2

Structural Information

Molecular Formula
C21H26ClN5O5
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)NC(=O)OCCOCC
InChI
InChI=1S/C21H26ClN5O5/c1-4-26(5-2)15-7-10-19(20(14-15)23-21(28)32-12-11-31-6-3)25-24-18-9-8-16(27(29)30)13-17(18)22/h7-10,13-14H,4-6,11-12H2,1-3H3,(H,23,28)
InChIKey
BASKGNLLUQTLND-UHFFFAOYSA-N
Compound name
2-ethoxyethyl N-[2-[(2-chloro-4-nitrophenyl)diazenyl]-5-(diethylamino)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

463.16223 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.16951 212.2
[M+Na]+ 486.15145 215.1
[M-H]- 462.15495 221.8
[M+NH4]+ 481.19605 221.0
[M+K]+ 502.12539 209.3
[M+H-H2O]+ 446.15949 206.3
[M+HCOO]- 508.16043 237.6
[M+CH3COO]- 522.17608 243.7
[M+Na-2H]- 484.13690 215.4
[M]+ 463.16168 219.9
[M]- 463.16278 219.9
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