CID 3075612

P10358

Structural Information

Molecular Formula
C16H15FN4O2
SMILES
CC1=CN(C2=C1C=C(C=C2)OC(=O)NC)NC3=C(C=NC=C3)F
InChI
InChI=1S/C16H15FN4O2/c1-10-9-21(20-14-5-6-19-8-13(14)17)15-4-3-11(7-12(10)15)23-16(22)18-2/h3-9H,1-2H3,(H,18,22)(H,19,20)
InChIKey
GUHMRCCRDRBMHO-UHFFFAOYSA-N
Compound name
[1-[(3-fluoropyridin-4-yl)amino]-3-methylindol-5-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

314.1179 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12518 169.9
[M+Na]+ 337.10712 179.7
[M-H]- 313.11062 175.0
[M+NH4]+ 332.15172 184.4
[M+K]+ 353.08106 174.9
[M+H-H2O]+ 297.11516 159.9
[M+HCOO]- 359.11610 193.6
[M+CH3COO]- 373.13175 210.8
[M+Na-2H]- 335.09257 174.9
[M]+ 314.11735 172.3
[M]- 314.11845 172.3
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

patents stripe