CID 6603857

Gw2974

Structural Information

Molecular Formula
C23H21N7
SMILES
CN(C)C1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N(N=C4)CC5=CC=CC=C5
InChI
InChI=1S/C23H21N7/c1-29(2)22-11-19-20(13-24-22)25-15-26-23(19)28-18-8-9-21-17(10-18)12-27-30(21)14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,26,28)
InChIKey
DYYZXRCFCVDSKD-UHFFFAOYSA-N
Compound name
4-N-(1-benzylindazol-5-yl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

38
References

78
Patents

395.18585 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19313 195.0
[M+Na]+ 418.17507 204.2
[M-H]- 394.17857 201.9
[M+NH4]+ 413.21967 202.5
[M+K]+ 434.14901 195.9
[M+H-H2O]+ 378.18311 181.2
[M+HCOO]- 440.18405 214.3
[M+CH3COO]- 454.19970 203.7
[M+Na-2H]- 416.16052 202.5
[M]+ 395.18530 197.8
[M]- 395.18640 197.8
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