CID 5376581

Acbpa hydrazone

Structural Information

Molecular Formula
C14H14ClN5
SMILES
C1=CC=C(C=C1)/C(=N/N=C(N)N)/C2=C(C=CC(=C2)Cl)N
InChI
InChI=1S/C14H14ClN5/c15-10-6-7-12(16)11(8-10)13(19-20-14(17)18)9-4-2-1-3-5-9/h1-8H,16H2,(H4,17,18,20)/b19-13-
InChIKey
VOMKMECTFJLAPY-UYRXBGFRSA-N
Compound name
2-[(Z)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

2
Patents

287.09378 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10106 167.5
[M+Na]+ 310.08300 173.7
[M-H]- 286.08650 175.5
[M+NH4]+ 305.12760 182.9
[M+K]+ 326.05694 168.7
[M+H-H2O]+ 270.09104 159.5
[M+HCOO]- 332.09198 191.9
[M+CH3COO]- 346.10763 215.4
[M+Na-2H]- 308.06845 170.7
[M]+ 287.09323 164.4
[M]- 287.09433 164.4
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