CID 13490006

95857-77-5

Structural Information

Molecular Formula
C21H21Cl2N3O
SMILES
C1COC(C2=C1NC=N2)CN(CC3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H21Cl2N3O/c22-17-5-1-15(2-6-17)11-26(12-16-3-7-18(23)8-4-16)13-20-21-19(9-10-27-20)24-14-25-21/h1-8,14,20H,9-13H2,(H,24,25)
InChIKey
NCDQEJCHKQEBGK-UHFFFAOYSA-N
Compound name
N,N-bis[(4-chlorophenyl)methyl]-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

401.10617 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11345 195.2
[M+Na]+ 424.09539 201.9
[M-H]- 400.09889 201.8
[M+NH4]+ 419.13999 205.3
[M+K]+ 440.06933 194.8
[M+H-H2O]+ 384.10343 184.7
[M+HCOO]- 446.10437 202.7
[M+CH3COO]- 460.12002 203.3
[M+Na-2H]- 422.08084 196.0
[M]+ 401.10562 197.2
[M]- 401.10672 197.2
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.