CID 3018941

80462-92-6

Structural Information

Molecular Formula
C23H29ClN6O9
SMILES
CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OCCOC)N(CCOC)CCOC
InChI
InChI=1S/C23H29ClN6O9/c1-15(31)25-18-13-20(28(5-7-36-2)6-8-37-3)22(39-10-9-38-4)14-19(18)26-27-23-17(24)11-16(29(32)33)12-21(23)30(34)35/h11-14H,5-10H2,1-4H3,(H,25,31)
InChIKey
ZETKQWGXWDYFDO-UHFFFAOYSA-N
Compound name
N-[5-[bis(2-methoxyethyl)amino]-2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-(2-methoxyethoxy)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.16846 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.17574 250.4
[M+Na]+ 591.15768 265.1
[M-H]- 567.16118 262.6
[M+NH4]+ 586.20228 263.8
[M+K]+ 607.13162 256.3
[M+H-H2O]+ 551.16572 239.0
[M+HCOO]- 613.16666 266.2
[M+CH3COO]- 627.18231 256.1
[M+Na-2H]- 589.14313 241.9
[M]+ 568.16791 239.5
[M]- 568.16901 239.5
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.