CID 493178

3-chloro-n-[12-(3-chloropropanoylamino)-3,12-diaza-6,9-diazoniadispiro[5.2.5^{9}.2^{6}]hexadecan-3-yl]propanamide

Structural Information

Molecular Formula
C18H34Cl2N6O2
SMILES
C1C[N+]2(CCN1NC(=O)CCCl)CC[N+]3(CCN(CC3)NC(=O)CCCl)CC2
InChI
InChI=1S/C18H32Cl2N6O2/c19-3-1-17(27)21-23-5-9-25(10-6-23)13-15-26(16-14-25)11-7-24(8-12-26)22-18(28)2-4-20/h1-16H2/p+2
InChIKey
ISDQJDARRPXSKV-UHFFFAOYSA-P
Compound name
3-chloro-N-[12-(3-chloropropanoylamino)-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

436.21204 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.21932 191.4
[M+Na]+ 459.20126 190.2
[M-H]- 435.20476 189.6
[M+NH4]+ 454.24586 199.0
[M+K]+ 475.17520 174.9
[M+H-H2O]+ 419.20930 186.1
[M+HCOO]- 481.21024 188.0
[M+CH3COO]- 495.22589 211.7
[M+Na-2H]- 457.18671 196.8
[M]+ 436.21149 179.7
[M]- 436.21259 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.