CID 21118982

62607-26-5

Structural Information

Molecular Formula
C21H25IN6O8
SMILES
CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2I)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCOC)CCOC
InChI
InChI=1S/C21H25IN6O8/c1-13(29)23-16-11-18(26(5-7-34-2)6-8-35-3)20(36-4)12-17(16)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h9-12H,5-8H2,1-4H3,(H,23,29)
InChIKey
SMHNZXAPRVGABZ-UHFFFAOYSA-N
Compound name
N-[5-[bis(2-methoxyethyl)amino]-2-[(2-iodo-4,6-dinitrophenyl)diazenyl]-4-methoxyphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

616.0779 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 617.08518 270.7
[M+Na]+ 639.06712 285.4
[M-H]- 615.07062 281.6
[M+NH4]+ 634.11172 282.7
[M+K]+ 655.04106 276.3
[M+H-H2O]+ 599.07516 259.1
[M+HCOO]- 661.07610 285.6
[M+CH3COO]- 675.09175 252.4
[M+Na-2H]- 637.05257 261.1
[M]+ 616.07735 256.0
[M]- 616.07845 256.0
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.