CID 3072521

142790-94-1

Structural Information

Molecular Formula
C18H17ClN2O3
SMILES
COC1=C(C=C2C(=C1)CC(=NN=C2C3=CC(=CC=C3)Cl)CO)OC
InChI
InChI=1S/C18H17ClN2O3/c1-23-16-8-12-7-14(10-22)20-21-18(15(12)9-17(16)24-2)11-4-3-5-13(19)6-11/h3-6,8-9,22H,7,10H2,1-2H3
InChIKey
FVNWQERDYUZCIN-UHFFFAOYSA-N
Compound name
[1-(3-chlorophenyl)-7,8-dimethoxy-5H-2,3-benzodiazepin-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

344.09277 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10005 177.4
[M+Na]+ 367.08199 192.1
[M+NH4]+ 362.12659 184.2
[M+K]+ 383.05593 185.3
[M-H]- 343.08549 180.6
[M+Na-2H]- 365.06744 184.8
[M]+ 344.09222 180.9
[M]- 344.09332 180.9
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

patents stripe