CID 9843286

Schembl6811363

Structural Information

Molecular Formula
C22H17ClN4O
SMILES
C1C2=CC=CC=C2N(CC3=CC=CN31)C(=O)C4=C(C=C(C=C4)N5C=CN=C5)Cl
InChI
InChI=1S/C22H17ClN4O/c23-20-12-17(26-11-9-24-15-26)7-8-19(20)22(28)27-14-18-5-3-10-25(18)13-16-4-1-2-6-21(16)27/h1-12,15H,13-14H2
InChIKey
RSNXWAKDYVODLM-UHFFFAOYSA-N
Compound name
(2-chloro-4-imidazol-1-ylphenyl)-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

388.1091 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.11638 193.1
[M+Na]+ 411.09832 204.6
[M-H]- 387.10182 201.7
[M+NH4]+ 406.14292 205.0
[M+K]+ 427.07226 199.4
[M+H-H2O]+ 371.10636 181.4
[M+HCOO]- 433.10730 206.4
[M+CH3COO]- 447.12295 202.9
[M+Na-2H]- 409.08377 193.5
[M]+ 388.10855 194.2
[M]- 388.10965 194.2
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

patents stripe