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]+ 324.18190 175.9
[M+Na]+ 346.16384 182.7
[M-H]- 322.16734 181.2
[M+NH4]+ 341.20844 189.1
[M+K]+ 362.13778 177.7
[M+H-H2O]+ 306.17188 166.3
[M+HCOO]- 368.17282 199.2
[M+CH3COO]- 382.18847 217.0
[M+Na-2H]- 344.14929 179.7
[M]+ 323.17407 176.1
[M]- 323.17517 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.