CID 11349170

Bms-690514

Structural Information

Molecular Formula
C19H24N6O2
SMILES
COC1=CC=CC(=C1)NC2=NC=NN3C2=C(C=C3)CN4CC[C@H]([C@@H](C4)O)N
InChI
InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
InChIKey
CSGQVNMSRKWUSH-IAGOWNOFSA-N
Compound name
(3R,4R)-4-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

25
References

1394
Patents

368.19608 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.20336 186.5
[M+Na]+ 391.18530 193.5
[M-H]- 367.18880 190.7
[M+NH4]+ 386.22990 194.6
[M+K]+ 407.15924 186.9
[M+H-H2O]+ 351.19334 175.0
[M+HCOO]- 413.19428 203.1
[M+CH3COO]- 427.20993 194.6
[M+Na-2H]- 389.17075 189.2
[M]+ 368.19553 184.3
[M]- 368.19663 184.3
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.