CID 3039571

50820-93-4

Structural Information

Molecular Formula
C17H19N3O
SMILES
CN1C2=CC=CC=C2N=C1C(C3=CC=C(C=C3)N(C)C)O
InChI
InChI=1S/C17H19N3O/c1-19(2)13-10-8-12(9-11-13)16(21)17-18-14-6-4-5-7-15(14)20(17)3/h4-11,16,21H,1-3H3
InChIKey
HFJPVKZJULVAIE-UHFFFAOYSA-N
Compound name
[4-(dimethylamino)phenyl]-(1-methylbenzimidazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

281.1528 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 165.9
[M+Na]+ 304.14202 174.7
[M-H]- 280.14552 171.9
[M+NH4]+ 299.18662 181.9
[M+K]+ 320.11596 170.6
[M+H-H2O]+ 264.15006 157.1
[M+HCOO]- 326.15100 187.9
[M+CH3COO]- 340.16665 177.9
[M+Na-2H]- 302.12747 169.8
[M]+ 281.15225 168.8
[M]- 281.15335 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.