CID 9879805

Lag hydrochloride

Structural Information

Molecular Formula
C17H36N4O
SMILES
CCCCCCCCCCCC(=O)NCCCCN=C(N)N
InChI
InChI=1S/C17H36N4O/c1-2-3-4-5-6-7-8-9-10-13-16(22)20-14-11-12-15-21-17(18)19/h2-15H2,1H3,(H,20,22)(H4,18,19,21)
InChIKey
JBLQHYDMYCFUBA-UHFFFAOYSA-N
Compound name
N-[4-(diaminomethylideneamino)butyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

312.2889 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.29618 183.5
[M+Na]+ 335.27812 186.5
[M+NH4]+ 330.32272 187.5
[M+K]+ 351.25206 180.7
[M-H]- 311.28162 183.2
[M+Na-2H]- 333.26357 182.7
[M]+ 312.28835 183.0
[M]- 312.28945 183.0
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