CID 37546

Brn 0929340

Structural Information

Molecular Formula
C16H17N5O
SMILES
CC1=NC2=CC=CC=C2N1CNC3=CC=C(C=C3)C(=O)NN
InChI
InChI=1S/C16H17N5O/c1-11-19-14-4-2-3-5-15(14)21(11)10-18-13-8-6-12(7-9-13)16(22)20-17/h2-9,18H,10,17H2,1H3,(H,20,22)
InChIKey
SLFIUARFRVWHMP-UHFFFAOYSA-N
Compound name
4-[(2-methylbenzimidazol-1-yl)methylamino]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1433 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.15058 166.1
[M+Na]+ 318.13252 174.2
[M-H]- 294.13602 171.7
[M+NH4]+ 313.17712 180.6
[M+K]+ 334.10646 169.0
[M+H-H2O]+ 278.14056 156.7
[M+HCOO]- 340.14150 191.1
[M+CH3COO]- 354.15715 177.4
[M+Na-2H]- 316.11797 172.2
[M]+ 295.14275 166.2
[M]- 295.14385 166.2
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.