CID 215914

Brn 0935961

Structural Information

Molecular Formula
C18H21N5O
SMILES
CC(C)C1=NC2=CC=CC=C2N1CNC3=CC=C(C=C3)C(=O)NN
InChI
InChI=1S/C18H21N5O/c1-12(2)17-21-15-5-3-4-6-16(15)23(17)11-20-14-9-7-13(8-10-14)18(24)22-19/h3-10,12,20H,11,19H2,1-2H3,(H,22,24)
InChIKey
GBBQDSGYHCEVHR-UHFFFAOYSA-N
Compound name
4-[(2-propan-2-ylbenzimidazol-1-yl)methylamino]benzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.17462 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.181896 175.9
[M+Na]+ 346.163838 182.7
[M-H]- 322.167344 181.2
[M+NH4]+ 341.208443 189.1
[M+K]+ 362.137778 177.7
[M+H-H2O]+ 306.171880 166.3
[M+HCOO]- 368.172821 199.2
[M+CH3COO]- 382.188471 217.0
[M+Na-2H]- 344.149286 179.7
[M]+ 323.17407142 176.1
[M]- 323.17516858 176.1
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.