CID 3077560

6,7-dimethoxy-4-semicarbazidoquinazoline hydrochloride dihydrate

Structural Information

Molecular Formula
C11H13N5O3
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NNC(=O)N)OC
InChI
InChI=1S/C11H13N5O3/c1-18-8-3-6-7(4-9(8)19-2)13-5-14-10(6)15-16-11(12)17/h3-5H,1-2H3,(H3,12,16,17)(H,13,14,15)
InChIKey
PCWAPUHMRMRCMP-UHFFFAOYSA-N
Compound name
[(6,7-dimethoxyquinazolin-4-yl)amino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

263.10184 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10912 155.6
[M+Na]+ 286.09106 163.5
[M-H]- 262.09456 157.7
[M+NH4]+ 281.13566 169.7
[M+K]+ 302.06500 161.3
[M+H-H2O]+ 246.09910 146.9
[M+HCOO]- 308.10004 179.0
[M+CH3COO]- 322.11569 204.2
[M+Na-2H]- 284.07651 163.4
[M]+ 263.10129 157.0
[M]- 263.10239 157.0
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