CID 434161

N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide

Structural Information

Molecular Formula
C13H19N5O2
SMILES
C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)N
InChI
InChI=1S/C13H19N5O2/c14-11(19)10(7-4-8-17-13(15)16)18-12(20)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,14,19)(H,18,20)(H4,15,16,17)
InChIKey
UMKJQJGLFKDADN-UHFFFAOYSA-N
Compound name
N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

277.15387 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.161146 165.2
[M+Na]+ 300.143088 166.7
[M-H]- 276.146594 167.9
[M+NH4]+ 295.187693 178.6
[M+K]+ 316.117028 165.7
[M+H-H2O]+ 260.151130 156.3
[M+HCOO]- 322.152071 190.0
[M+CH3COO]- 336.167721 213.8
[M+Na-2H]- 298.128536 165.3
[M]+ 277.15332142 159.6
[M]- 277.15441858 159.6
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

patents stripe