CID 13397713

95461-32-8

Structural Information

Molecular Formula
C18H30Br4N4O2
SMILES
C1C[N+]2(CCN1C(=O)C(CBr)Br)CC[N+]3(CCN(CC3)C(=O)C(CBr)Br)CC2
InChI
InChI=1S/C18H30Br4N4O2/c19-13-15(21)17(27)23-1-5-25(6-2-23)9-11-26(12-10-25)7-3-24(4-8-26)18(28)16(22)14-20/h15-16H,1-14H2/q+2
InChIKey
KGHKLKPGDDMGNE-UHFFFAOYSA-N
Compound name
2,3-dibromo-1-[12-(2,3-dibromopropanoyl)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

649.9102 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 650.91748 185.3
[M+Na]+ 672.89942 187.3
[M-H]- 648.90292 188.2
[M+NH4]+ 667.94402 192.0
[M+K]+ 688.87336 172.9
[M+H-H2O]+ 632.90746 205.7
[M+HCOO]- 694.90840 184.1
[M+CH3COO]- 708.92405 242.2
[M+Na-2H]- 670.88487 185.4
[M]+ 649.90965 220.7
[M]- 649.91075 220.7
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.