CID 129907266

Dichloromanganese; 16-methyl-3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(18),14,16-triene

Structural Information

Molecular Formula
C14H25N5
SMILES
CC1=CC2=NC(=C1)CNCCNCCNCCNC2
InChI
InChI=1S/C14H25N5/c1-12-8-13-10-17-6-4-15-2-3-16-5-7-18-11-14(9-12)19-13/h8-9,15-18H,2-7,10-11H2,1H3
InChIKey
YSSQDUOPJCQJKR-UHFFFAOYSA-N
Compound name
16-methyl-3,6,9,12,18-pentazabicyclo[12.3.1]octadeca-1(17),14(18),15-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.211 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.21828 167.2
[M+Na]+ 286.20022 169.7
[M-H]- 262.20372 155.7
[M+NH4]+ 281.24482 172.4
[M+K]+ 302.17416 163.6
[M+H-H2O]+ 246.20826 160.8
[M+HCOO]- 308.20920 170.1
[M+CH3COO]- 322.22485 170.9
[M+Na-2H]- 284.18567 170.1
[M]+ 263.21045 150.6
[M]- 263.21155 150.6
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.