CID 198062

27018-14-0

Structural Information

Molecular Formula
C9H10N4
SMILES
CC1=C2C(=CC=C1)N=C(N=C2N)N
InChI
InChI=1S/C9H10N4/c1-5-3-2-4-6-7(5)8(10)13-9(11)12-6/h2-4H,1H3,(H4,10,11,12,13)
InChIKey
SOYZWGONXBBNMQ-UHFFFAOYSA-N
Compound name
5-methylquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

60
Patents

174.09055 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09783 136.5
[M+Na]+ 197.07977 146.8
[M-H]- 173.08327 138.4
[M+NH4]+ 192.12437 154.8
[M+K]+ 213.05371 142.8
[M+H-H2O]+ 157.08781 129.2
[M+HCOO]- 219.08875 159.2
[M+CH3COO]- 233.10440 149.7
[M+Na-2H]- 195.06522 144.7
[M]+ 174.09000 134.1
[M]- 174.09110 134.1
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