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

literature stripe

Patent stripe

patents stripe