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]+ 277.165906 167.2
[M+Na]+ 299.147848 169.2
[M-H]- 275.151354 170.3
[M+NH4]+ 294.192453 181.4
[M+K]+ 315.121788 167.9
[M+H-H2O]+ 259.155890 158.6
[M+HCOO]- 321.156831 191.4
[M+CH3COO]- 335.172481 211.8
[M+Na-2H]- 297.133296 167.3
[M]+ 276.15808142 163.7
[M]- 276.15917858 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.