CID 353293

Nsc601054

Structural Information

Molecular Formula
C22H18N2O2
SMILES
COC1=CC=CC=C1C2=NC3=CC=CC=C3N=C(C2)C4=CC=CC=C4O
InChI
InChI=1S/C22H18N2O2/c1-26-22-13-7-3-9-16(22)20-14-19(15-8-2-6-12-21(15)25)23-17-10-4-5-11-18(17)24-20/h2-13,25H,14H2,1H3
InChIKey
LECPLPRIFMXKDQ-UHFFFAOYSA-N
Compound name
2-[4-(2-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.13684 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.14412 184.9
[M+Na]+ 365.12606 192.8
[M-H]- 341.12956 193.0
[M+NH4]+ 360.17066 195.1
[M+K]+ 381.10000 191.0
[M+H-H2O]+ 325.13410 175.3
[M+HCOO]- 387.13504 203.1
[M+CH3COO]- 401.15069 194.6
[M+Na-2H]- 363.11151 190.1
[M]+ 342.13629 183.1
[M]- 342.13739 183.1
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.