CID 18659999

15753-91-0

Structural Information

Molecular Formula
C18H38N4
SMILES
CC(C)CC(=NCCNCCNCCN=C(C)CC(C)C)C
InChI
InChI=1S/C18H38N4/c1-15(2)13-17(5)21-11-9-19-7-8-20-10-12-22-18(6)14-16(3)4/h15-16,19-20H,7-14H2,1-6H3
InChIKey
MALQDLVGQHDICZ-UHFFFAOYSA-N
Compound name
N,N'-bis[2-(4-methylpentan-2-ylideneamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

97
Patents

310.30966 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.31694 188.9
[M+Na]+ 333.29888 188.3
[M-H]- 309.30238 190.0
[M+NH4]+ 328.34348 203.7
[M+K]+ 349.27282 187.7
[M+H-H2O]+ 293.30692 180.2
[M+HCOO]- 355.30786 212.1
[M+CH3COO]- 369.32351 228.5
[M+Na-2H]- 331.28433 186.3
[M]+ 310.30911 191.0
[M]- 310.31021 191.0
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

patents stripe