CID 202366

10238-07-0

Structural Information

Molecular Formula
C16H30N4O2
SMILES
C[N+](C)(C)CCON=C1C=CC(=NOCC[N+](C)(C)C)C=C1
InChI
InChI=1S/C16H30N4O2/c1-19(2,3)11-13-21-17-15-7-9-16(10-8-15)18-22-14-12-20(4,5)6/h7-10H,11-14H2,1-6H3/q+2
InChIKey
SVUQXFLZVZFPOE-UHFFFAOYSA-N
Compound name
trimethyl-[2-[[4-[2-(trimethylazaniumyl)ethoxyimino]cyclohexa-2,5-dien-1-ylidene]amino]oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.23688 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.24416 168.4
[M+Na]+ 333.22610 172.0
[M-H]- 309.22960 176.8
[M+NH4]+ 328.27070 184.5
[M+K]+ 349.20004 161.5
[M+H-H2O]+ 293.23414 165.9
[M+HCOO]- 355.23508 195.4
[M+CH3COO]- 369.25073 212.3
[M+Na-2H]- 331.21155 181.5
[M]+ 310.23633 170.9
[M]- 310.23743 170.9
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.