PubChemLite - Cbdmb (C22H23Cl2N7O)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1)CN/N=C/NC(=O)C2=C(N=C(C(=N2)Cl)NCC3=CC=C(C=C3)Cl)N)C

InChI

InChI=1S/C22H23Cl2N7O/c1-13-3-6-16(14(2)9-13)11-28-29-12-27-22(32)18-20(25)31-21(19(24)30-18)26-10-15-4-7-17(23)8-5-15/h3-9,12,28H,10-11H2,1-2H3,(H3,25,26,31)(H,27,29,32)

InChIKey

OTVLDNYCQTWHCT-UHFFFAOYSA-N

Compound name

3-amino-6-chloro-5-[(4-chlorophenyl)methylamino]-N-[(E)-[(2,4-dimethylphenyl)methylhydrazinylidene]methyl]pyrazine-2-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	472.14140	214.4
[M+Na]+	494.12334	227.7
[M+NH4]+	489.16794	219.8
[M+K]+	510.09728	218.7
[M-H]-	470.12684	221.7
[M+Na-2H]-	492.10879	222.7
[M]+	471.13357	218.7
[M]-	471.13467	218.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

472.14140

214.4

[M+Na]+

494.12334

227.7

[M+NH4]+

489.16794

219.8

[M+K]+

510.09728

218.7

[M-H]-

470.12684

221.7

[M+Na-2H]-

492.10879

222.7

[M]+

471.13357

218.7

[M]-

471.13467

218.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Cbdmb

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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