CID 13490005

Pyrano(3,4-d)imidazole-4-methanamine, 1,4,6,7-tetrahydro-n,n-bis(phenylmethyl)-

Structural Information

Molecular Formula
C21H23N3O
SMILES
C1COC(C2=C1NC=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4
InChI
InChI=1S/C21H23N3O/c1-3-7-17(8-4-1)13-24(14-18-9-5-2-6-10-18)15-20-21-19(11-12-25-20)22-16-23-21/h1-10,16,20H,11-15H2,(H,22,23)
InChIKey
PHCMNKVFCIYTRW-UHFFFAOYSA-N
Compound name
N,N-dibenzyl-1-(1,4,6,7-tetrahydropyrano[3,4-d]imidazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1841 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19138 178.6
[M+Na]+ 356.17332 182.4
[M-H]- 332.17682 185.8
[M+NH4]+ 351.21792 189.5
[M+K]+ 372.14726 177.6
[M+H-H2O]+ 316.18136 167.5
[M+HCOO]- 378.18230 196.1
[M+CH3COO]- 392.19795 187.5
[M+Na-2H]- 354.15877 182.6
[M]+ 333.18355 176.0
[M]- 333.18465 176.0
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.