CID 370456

Nsc643587

Structural Information

Molecular Formula
C13H15N5O
SMILES
C1=CC(=CC=C1C(=O)NN)N(CCC#N)CCC#N
InChI
InChI=1S/C13H15N5O/c14-7-1-9-18(10-2-8-15)12-5-3-11(4-6-12)13(19)17-16/h3-6H,1-2,9-10,16H2,(H,17,19)
InChIKey
FDMRJJZVAWYADN-UHFFFAOYSA-N
Compound name
4-[bis(2-cyanoethyl)amino]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.12766 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13494 172.1
[M+Na]+ 280.11688 178.6
[M-H]- 256.12038 174.9
[M+NH4]+ 275.16148 182.1
[M+K]+ 296.09082 176.5
[M+H-H2O]+ 240.12492 155.4
[M+HCOO]- 302.12586 185.3
[M+CH3COO]- 316.14151 230.2
[M+Na-2H]- 278.10233 171.9
[M]+ 257.12711 163.0
[M]- 257.12821 163.0
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

No patent data available for this compound.