CID 46937075

N-[(1s)-1-(aminocarbonyl)-4-(ethanimidoylamino)butyl]benzamide

Structural Information

Molecular Formula
C14H20N4O2
SMILES
CC(=NCCC[C@@H](C(=O)N)NC(=O)C1=CC=CC=C1)N
InChI
InChI=1S/C14H20N4O2/c1-10(15)17-9-5-8-12(13(16)19)18-14(20)11-6-3-2-4-7-11/h2-4,6-7,12H,5,8-9H2,1H3,(H2,15,17)(H2,16,19)(H,18,20)/t12-/m0/s1
InChIKey
LWFFSSMDFWZNNW-LBPRGKRZSA-N
Compound name
N-[(2S)-1-amino-5-(1-aminoethylideneamino)-1-oxopentan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15863 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16591 167.2
[M+Na]+ 299.14785 169.2
[M-H]- 275.15135 170.3
[M+NH4]+ 294.19245 181.4
[M+K]+ 315.12179 167.9
[M+H-H2O]+ 259.15589 158.6
[M+HCOO]- 321.15683 191.4
[M+CH3COO]- 335.17248 211.8
[M+Na-2H]- 297.13330 167.3
[M]+ 276.15808 163.7
[M]- 276.15918 163.7
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.