CID 3072688

143691-84-3

Structural Information

Molecular Formula
C19H18N4O3
SMILES
CC1=NN=C(C2=CC3=C(C=C2C1)OCO3)C4=CC=C(C=C4)NC(=O)CN
InChI
InChI=1S/C19H18N4O3/c1-11-6-13-7-16-17(26-10-25-16)8-15(13)19(23-22-11)12-2-4-14(5-3-12)21-18(24)9-20/h2-5,7-8H,6,9-10,20H2,1H3,(H,21,24)
InChIKey
MLMOSKRXUXVKAM-UHFFFAOYSA-N
Compound name
2-amino-N-[4-(8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

350.13788 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14516 188.7
[M+Na]+ 373.12710 199.4
[M+NH4]+ 368.17170 194.5
[M+K]+ 389.10104 196.5
[M-H]- 349.13060 194.5
[M+Na-2H]- 371.11255 192.2
[M]+ 350.13733 191.8
[M]- 350.13843 191.8
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