CID 379320

Nsc663869

Structural Information

Molecular Formula
C20H18N2O
SMILES
CCC1(C2=CC=CN2C3=CC=CC=C3C(=N1)C4=CC=CC=C4)O
InChI
InChI=1S/C20H18N2O/c1-2-20(23)18-13-8-14-22(18)17-12-7-6-11-16(17)19(21-20)15-9-4-3-5-10-15/h3-14,23H,2H2,1H3
InChIKey
DALJVKMAEUFXED-UHFFFAOYSA-N
Compound name
4-ethyl-6-phenylpyrrolo[1,2-a][1,4]benzodiazepin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1419 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14918 174.4
[M+Na]+ 325.13112 183.8
[M-H]- 301.13462 181.1
[M+NH4]+ 320.17572 191.1
[M+K]+ 341.10506 180.0
[M+H-H2O]+ 285.13916 166.2
[M+HCOO]- 347.14010 192.8
[M+CH3COO]- 361.15575 185.3
[M+Na-2H]- 323.11657 179.8
[M]+ 302.14135 172.9
[M]- 302.14245 172.9
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

No patent data available for this compound.