CID 1263141

134749-33-0

Structural Information

Molecular Formula
C16H23N7O3
SMILES
CN1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NNC(=O)N)OC)OC
InChI
InChI=1S/C16H23N7O3/c1-22-4-6-23(7-5-22)16-18-11-9-13(26-3)12(25-2)8-10(11)14(19-16)20-21-15(17)24/h8-9H,4-7H2,1-3H3,(H3,17,21,24)(H,18,19,20)
InChIKey
QJWADJZQHZDQBT-UHFFFAOYSA-N
Compound name
[[6,7-dimethoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.18625 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.19353 186.1
[M+Na]+ 384.17547 191.9
[M-H]- 360.17897 187.9
[M+NH4]+ 379.22007 193.2
[M+K]+ 400.14941 188.0
[M+H-H2O]+ 344.18351 174.8
[M+HCOO]- 406.18445 202.0
[M+CH3COO]- 420.20010 224.8
[M+Na-2H]- 382.16092 190.0
[M]+ 361.18570 184.4
[M]- 361.18680 184.4
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.