CID 392122

Nsc691994

Structural Information

Molecular Formula
C14H14N4O2
SMILES
C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2N)N
InChI
InChI=1S/C14H14N4O2/c15-11-7-3-1-5-9(11)13(19)17-18-14(20)10-6-2-4-8-12(10)16/h1-8H,15-16H2,(H,17,19)(H,18,20)
InChIKey
SPFZLGKZSROIJB-UHFFFAOYSA-N
Compound name
2-amino-N'-(2-aminobenzoyl)benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

270.11166 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11894 160.6
[M+Na]+ 293.10088 165.7
[M-H]- 269.10438 166.7
[M+NH4]+ 288.14548 174.9
[M+K]+ 309.07482 162.5
[M+H-H2O]+ 253.10892 152.1
[M+HCOO]- 315.10986 186.6
[M+CH3COO]- 329.12551 206.2
[M+Na-2H]- 291.08633 164.4
[M]+ 270.11111 155.7
[M]- 270.11221 155.7
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.