CID 83383306

5-(dimethylamino)-1-methyl-1h-1,3-benzodiazole-2-carbaldehyde

Structural Information

Molecular Formula
C11H13N3O
SMILES
CN1C2=C(C=C(C=C2)N(C)C)N=C1C=O
InChI
InChI=1S/C11H13N3O/c1-13(2)8-4-5-10-9(6-8)12-11(7-15)14(10)3/h4-7H,1-3H3
InChIKey
HOZGAPMHSSRNDD-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-1-methylbenzimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.10587 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.113146 142.8
[M+Na]+ 226.095088 154.1
[M-H]- 202.098594 147.3
[M+NH4]+ 221.139693 163.3
[M+K]+ 242.069028 151.8
[M+H-H2O]+ 186.103130 135.4
[M+HCOO]- 248.104071 168.2
[M+CH3COO]- 262.119721 192.7
[M+Na-2H]- 224.080536 149.1
[M]+ 203.10532142 147.9
[M]- 203.10641858 147.9
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.